Glycoside
...
GD000614

Name:
None

Formula:
C31H33O11N

Smiles:
CC(=O)OCC1OC(N2C(=O)[C@H](Oc3ccccc3)[C@H]2C=Cc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=C1NC(C=Cc2ccccc2)C1Oc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.39
AlogP: 2.44 Num_rotatable_bonds: 10
MolWt: 595.6 Num_heavy_atoms: 43
TPSA: 143.97 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
AD00671
Formula: C17H15O2N

Smiles:
O=C1NC(C=Cc2ccccc2)C1Oc1ccccc1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.12
AlogP: 2.65 Num_rotatable_bonds: 4
MolWt: 265.31 Num_heavy_atoms: 20
TPSA: 38.33 NumAromaticRings: 2

Sugarmoiety
SD00012

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