Glycoside
...
GD107880

Name:
None

Formula:
C26H25O10N

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1NC(=O)c2ccccc21.Oc1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.35
AlogP: 1.88 Num_rotatable_bonds: 7
MolWt: 511.48 Num_heavy_atoms: 37
TPSA: 134.74 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
AD01349
Formula: C6H6O

Smiles:
Oc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.39 Num_rotatable_bonds: 0
MolWt: 94.11 Num_heavy_atoms: 7
TPSA: 20.23 NumAromaticRings: 1
AD03368
Formula: C8H5O2N

Smiles:
O=C1NC(=O)c2ccccc21
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.57 Num_rotatable_bonds: 0
MolWt: 147.13 Num_heavy_atoms: 11
TPSA: 46.17 NumAromaticRings: 1

Sugarmoiety
SD00013

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