Glycoside
...
GD158315

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-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-5,7,9,19,23,25,31,32,33-nonahydroxy-2,8,14,18,28-pentamethyl-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:
C105H183O44N3

Smiles:
CC(O)=NC1CC(OC2C(O)C(C)OC(OC3C(C)OC(OC4CC5(O)OC(CC(O)C5O)C(C)C(OC5OC(CO)C(O)C(O)C5O)CC(O)CC(O)C(C)C(O)C=CC=CC(C)C(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC5CC(C)(N=C(C)O)C(O)C(C)O5)OC(=O)C(C)C(O)C=CCC(O)CC(O)CCC4C)C(OC4OC(C)C(O)C(O)C4O)C3OC3CC(N=C(C)O)C(O)C(C)O3)C2O)OC(C)C1O

Aglycone:
CC(O)=NC1(C)CC(OC(C)C(C)C(O)CCC(C)C(O)C(C)CCCCC(O)CC2OC(=O)C(C)C(O)C=CCC(O)CC(O)CCC(C)C(O)CC3(O)OC(CC(O)C3O)C(C)C(O)CC(O)CC(O)C(C)C(O)C=CC=CC2C)OC(C)C1O.CC(O)=NC1CC(O)OC(C)C1O.CC(O)=NC1CC(O)OC(C)C1O

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

Other Identifiers

Properties
HBA: 47 RingCount: 9
HBD: 27 FractionCSP3: 0.9
AlogP: 0.05 Num_rotatable_bonds: 32
MolWt: 2191.6 Num_heavy_atoms: 152
TPSA: 748.04 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
AD46954
Formula: C65H117O21N

Smiles:
CC(O)=NC1(C)CC(OC(C)C(C)C(O)CCC(C)C(O)C(C)CCCCC(O)CC2OC(=O)C(C)C(O)C=CCC(O)CC(O)CCC(C)C(O)CC3(O)OC(CC(O)C3O)C(C)C(O)CC(O)CC(O)C(C)C(O)C=CC=CC2C)OC(C)C1O
HBA: 22 RingCount: 3
HBD: 16 FractionCSP3: 0.88
AlogP: 3.94 Num_rotatable_bonds: 17
MolWt: 1248.64 Num_heavy_atoms: 87
TPSA: 390.03 NumAromaticRings: 0

Sugarmoiety
SD04742

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