Glycoside
...
GD036835

Name:
None

Formula:
C27H24O9N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(-c3cc4ccccc4oc3=O)nc3ccccc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1oc2ccccc2cc1C1=Nc2ccccc2[N]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 0 FractionCSP3: 0.3
AlogP: 3.13 Num_rotatable_bonds: 6
MolWt: 520.49 Num_heavy_atoms: 38
TPSA: 136.16 NumAromaticRings: 4

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
AD01786
Formula: C16H9O2N2

Smiles:
O=c1oc2ccccc2cc1C1=Nc2ccccc2[N]1
HBA: 4 RingCount: 4
HBD: 0 FractionCSP3: 0.0
AlogP: 3.12 Num_rotatable_bonds: 1
MolWt: 261.26 Num_heavy_atoms: 20
TPSA: 56.67 NumAromaticRings: 3

Sugarmoiety
SD00105

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