Glycoside
...
GD114994

Name:
17-{14-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-2,8,12-trihydroxy-7,9,13-trimethylpentadecyl}-3-({4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-5-({4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-14-ethyl-1,7,9,13,23,25,27,33,34-nonahydroxy-4,18,24,30-tetramethyl-29-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,35-dioxabicyclo[29.3.1]pentatriaconta-11,19,21-trien-15-one

Formula:
C100H179O42N3

Smiles:
CCC1C(=O)OC(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC2CC(C)(N)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(O)C(C)O5)C4O)C(OC4CC(N)C(O)C(C)O4)C3OC3OC(CO)C(O)C(O)C3O)C(C)CCC(O)CC(O)CC=CC1O)O2

Aglycone:
CC1OC(O)CC(N)C1O.CC1OC(O)CC(N)C1O.CCC1C(=O)OC(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC2CC(C)(N)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: 45 RingCount: 9
HBD: 31 FractionCSP3: 0.93
AlogP: -3.65 Num_rotatable_bonds: 31
MolWt: 2095.51 Num_heavy_atoms: 145
TPSA: 748.56 NumAromaticRings: 0

Unique Aglycone
AD01040
Formula: C6H13O3N

Smiles:
CC1OC(O)CC(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.2 Num_rotatable_bonds: 0
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 75.71 NumAromaticRings: 0
AD45403
Formula: C64H117O20N

Smiles:
CCC1C(=O)OC(CC(O)CCCCC(C)C(O)C(C)CCC(O)C(C)C(C)OC2CC(C)(N)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: 21 RingCount: 3
HBD: 17 FractionCSP3: 0.89
AlogP: 3.31 Num_rotatable_bonds: 17
MolWt: 1220.63 Num_heavy_atoms: 85
TPSA: 383.46 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