Glycoside
...
GD030432

Name:
None

Formula:
C31H31O5N2ClS

Smiles:
O=C(Cc1cccs1)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)Cc1cccs1.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

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

Other Identifiers

Properties
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.37
AlogP: 4.16 Num_rotatable_bonds: 8
MolWt: 567.11 Num_heavy_atoms: 39
TPSA: 103.95 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
AD19692
Formula: C7H9ONS

Smiles:
CNC(=O)Cc1cccs1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.29
AlogP: 1.04 Num_rotatable_bonds: 2
MolWt: 155.22 Num_heavy_atoms: 10
TPSA: 29.1 NumAromaticRings: 1

Sugarmoiety
SD00017

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