Glycoside
...
GD006101

Name:
None

Formula:
C31H35O7N2Cl

Smiles:
CCOC(=O)CCC(=O)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CCOC(=O)CCC(=O)NC.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

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

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 4 FractionCSP3: 0.47
AlogP: 3.2 Num_rotatable_bonds: 10
MolWt: 571.07 Num_heavy_atoms: 40
TPSA: 130.25 NumAromaticRings: 3

Unique Aglycone
AD00150
Formula: C19H16NCl

Smiles:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.22
AlogP: 5.29 Num_rotatable_bonds: 3
MolWt: 281.79 Num_heavy_atoms: 20
TPSA: 15.79 NumAromaticRings: 3
AD05075
Formula: C7H13O3N

Smiles:
CCOC(=O)CCC(=O)NC
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.71
AlogP: 0.08 Num_rotatable_bonds: 4
MolWt: 159.19 Num_heavy_atoms: 11
TPSA: 55.4 NumAromaticRings: 0

Sugarmoiety
SD00017

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