Glycoside
...
GD110109

Name:
None

Formula:
C28H25O11N

Smiles:
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(OC)c1)[C@@H](OC(=O)c1cccc(OC)c1)C(=O)O

Aglycone:
COC(=O)c1ccccc1N.COc1cccc(C=O)c1.COc1cccc(C=O)c1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.18
AlogP: 2.96 Num_rotatable_bonds: 11
MolWt: 551.5 Num_heavy_atoms: 40
TPSA: 163.76 NumAromaticRings: 3

Unique Aglycone
AD25269
Formula: C8H9O2N

Smiles:
COC(=O)c1ccccc1N
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.06 Num_rotatable_bonds: 1
MolWt: 151.16 Num_heavy_atoms: 11
TPSA: 52.32 NumAromaticRings: 1
AD44013
Formula: C8H8O2

Smiles:
COc1cccc(C=O)c1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O