Glycoside
...
GD108409

Name:
None

Formula:
C27H32O11N2

Smiles:
COc1cc2c(cc1OC)-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)CC2

Aglycone:
COC(C)=O.COc1cc2c(cc1OC)C1=C(C=N[N]1)CC2

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.52
AlogP: 1.92 Num_rotatable_bonds: 8
MolWt: 560.56 Num_heavy_atoms: 40
TPSA: 150.71 NumAromaticRings: 2

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
AD08442
Formula: C13H13O2N2

Smiles:
COc1cc2c(cc1OC)C1=C(C=N[N]1)CC2
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.31
AlogP: 1.96 Num_rotatable_bonds: 2
MolWt: 229.26 Num_heavy_atoms: 17
TPSA: 44.92 NumAromaticRings: 1

Sugarmoiety
SD00012

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