Glycoside
...
GD000123

Name:
None

Formula:
C29H29O6N4Cl

Smiles:
COC(=O)c1cn(C[C@@H]2O[C@H](n3cc(Cc4ccc(C5CC5)cc4)c4c(Cl)cccc43)[C@H](O)[C@H](O)[C@H]2O)nn1

Aglycone:
COC(=O)c1cn(C)nn1.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

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

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 3 FractionCSP3: 0.39
AlogP: 2.82 Num_rotatable_bonds: 7
MolWt: 553.02 Num_heavy_atoms: 39
TPSA: 131.86 NumAromaticRings: 4

Unique Aglycone
AD00149
Formula: C5H7O2N3

Smiles:
COC(=O)c1cn(C)nn1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.4
AlogP: -0.4 Num_rotatable_bonds: 1
MolWt: 141.13 Num_heavy_atoms: 10
TPSA: 57.01 NumAromaticRings: 1
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

Sugarmoiety
SD00017

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