Glycoside
...
GD031397

Name:
None

Formula:
C30H32O10N2

Smiles:
COc1ccc2c3c(ccc2c1)-c1c(cnn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)CC3

Aglycone:
COC(C)=O.COc1ccc2c3c(ccc2c1)C1=C(C=N[N]1)CC3

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 0 FractionCSP3: 0.43
AlogP: 3.07 Num_rotatable_bonds: 7
MolWt: 580.59 Num_heavy_atoms: 42
TPSA: 141.48 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD20233
Formula: C16H13ON2

Smiles:
COc1ccc2c3c(ccc2c1)C1=C(C=N[N]1)CC3
HBA: 3 RingCount: 4
HBD: 0 FractionCSP3: 0.19
AlogP: 3.11 Num_rotatable_bonds: 1
MolWt: 249.29 Num_heavy_atoms: 19
TPSA: 35.69 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O