Glycoside
...
GD149737

Name:
N-{6-[(15-{29-[(5-{[3,5-dihydroxy-4-({5-hydroxy-4-[(1-hydroxyethylidene)amino]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4-({5-hydroxy-4-[(1-hydroxyethylidene)amino]-6-methyloxan-2-yl}oxy)-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-18-ethyl-5,7,9,19,23,25,31,32,33-nonahydroxy-2,8,14,28-tetramethyl-17-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,35-dioxabicyclo[29.3.1]pentatriaconta-10,12,20-trien-15-yl}-4,8,14-trihydroxy-3,7,9-trimethylpentadecan-2-yl)oxy]-3-hydroxy-2,4-dimethyloxan-4-yl}ethanimidic acid

Formula:
C106H185O45N3

Smiles:
CCC1C(=O)OC(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC2CC(C)(N=C(C)O)C(O)C(C)O2)C(C)C=CC=CC(O)C(C)C(O)CC(O)CC(OC2OC(CO)C(O)C(O)C2O)C(C)C2CC(O)C(O)C(O)(CC(OC3OC(C)C(OC4OC(C)C(O)C(OC5CC(N=C(C)O)C(O)C(C)O5)C4O)C(OC4CC(N=C(C)O)C(O)C(C)O4)C3OC3OC(CO)C(O)C(O)C3O)C(C)CCC(O)CC(O)CC=CC1O)O2

Aglycone:
CC(O)=NC1CC(O)OC(C)C1O.CC(O)=NC1CC(O)OC(C)C1O.CCC1C(=O)OC(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC2CC(C)(N=C(C)O)C(O)C(C)O2)C(C)C=CC=CC(O)C(C)C(O)CC(O)CC(O)C(C)C2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=CC1O)O2

Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 48 RingCount: 9
HBD: 28 FractionCSP3: 0.91
AlogP: -0.59 Num_rotatable_bonds: 34
MolWt: 2221.62 Num_heavy_atoms: 154
TPSA: 768.27 NumAromaticRings: 0

Unique Aglycone
AD45969
Formula: C8H15O4N

Smiles:
CC(O)=NC1CC(O)OC(C)C1O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.88
AlogP: -0.18 Num_rotatable_bonds: 1
MolWt: 189.21 Num_heavy_atoms: 13
TPSA: 82.28 NumAromaticRings: 0
AD45970
Formula: C66H119O21N

Smiles:
CCC1C(=O)OC(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC2CC(C)(N=C(C)O)C(O)C(C)O2)C(C)C=CC=CC(O)C(C)C(O)CC(O)CC(O)C(C)C2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)CC(O)CC=CC1O)O2
HBA: 22 RingCount: 3
HBD: 16 FractionCSP3: 0.88
AlogP: 4.33 Num_rotatable_bonds: 18
MolWt: 1262.66 Num_heavy_atoms: 88
TPSA: 390.03 NumAromaticRings: 0

Sugarmoiety
SD04511

CC1OC(OC2C(C)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O