Glycoside
...
GD034597

Name:
None

Formula:
C33H33O6N2Cl

Smiles:
COc1ccc(C(=O)NC[C@@H]2O[C@H](n3cc(Cc4ccc(C5CC5)cc4)c4c(Cl)cccc43)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
CNC(=O)c1ccc(OC)cc1.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

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

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 4 FractionCSP3: 0.34
AlogP: 4.18 Num_rotatable_bonds: 8
MolWt: 577.08 Num_heavy_atoms: 41
TPSA: 113.18 NumAromaticRings: 4

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
AD05627
Formula: C9H11O2N

Smiles:
CNC(=O)c1ccc(OC)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.05 Num_rotatable_bonds: 2
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 38.33 NumAromaticRings: 1

Sugarmoiety
SD00017

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