Glycoside
...
GD121688

Name:
None

Formula:
C34H36O14N2

Smiles:
CC(=O)C1CC(=CCN2c3cc(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)c(O)cc3CC2C(=O)O)C=C(C(=O)O)N1

Aglycone:
CC(=O)C1CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)C=C(C(=O)O)N1.COC(=O)C=Cc1ccc(O)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 8 FractionCSP3: 0.35
AlogP: 0.2 Num_rotatable_bonds: 11
MolWt: 696.66 Num_heavy_atoms: 50
TPSA: 252.85 NumAromaticRings: 2

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD48995
Formula: C19H20O7N2

Smiles:
CC(=O)C1CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)C=C(C(=O)O)N1
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.32
AlogP: 0.76 Num_rotatable_bonds: 5
MolWt: 388.38 Num_heavy_atoms: 28
TPSA: 147.4 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O