Glycoside
...
GD035881

Name:
None

Formula:
C33H31O4N3Cl2S

Smiles:
O[C@@H]1[C@H](O)[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)O[C@@H](CNC(=S)Nc2ccc(Cl)cc2)[C@@H]1O

Aglycone:
CNC(=S)Nc1ccc(Cl)cc1.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

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

Other Identifiers

Properties
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.32
AlogP: 5.38 Num_rotatable_bonds: 7
MolWt: 612.58 Num_heavy_atoms: 41
TPSA: 98.91 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
AD22672
Formula: C9H9N2ClS

Smiles:
CNC(=S)Nc1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 2.26 Num_rotatable_bonds: 1
MolWt: 200.69 Num_heavy_atoms: 12
TPSA: 24.06 NumAromaticRings: 1

Sugarmoiety
SD00017

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