Glycoside
...
GD035653

Name:
None

Formula:
C30H31O4N4Cl

Smiles:
O[C@@H]1[C@H](O)[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)O[C@@H](Cn2cc(C3CC3)nn2)[C@@H]1O

Aglycone:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12.Cn1cc(C2CC2)nn1

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

Other Identifiers

Properties
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.45
AlogP: 3.91 Num_rotatable_bonds: 7
MolWt: 535.04 Num_heavy_atoms: 38
TPSA: 105.56 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
AD22549
Formula: C6H9N3

Smiles:
Cn1cc(C2CC2)nn1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.67
AlogP: 0.69 Num_rotatable_bonds: 1
MolWt: 123.16 Num_heavy_atoms: 9
TPSA: 30.71 NumAromaticRings: 1

Sugarmoiety
SD00017

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