Glycoside
...
GD034031

Name:
None

Formula:
C28H29O7N2Cl

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

Aglycone:
CNC(=O)CC(=O)O.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

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

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.41
AlogP: 2.33 Num_rotatable_bonds: 8
MolWt: 528.99 Num_heavy_atoms: 37
TPSA: 141.25 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
AD21125
Formula: C4H7O3N

Smiles:
CNC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.79 Num_rotatable_bonds: 2
MolWt: 117.1 Num_heavy_atoms: 8
TPSA: 66.4 NumAromaticRings: 0

Sugarmoiety
SD00017

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