Glycoside
...
GD108077

Name:
None

Formula:
C30H34O11N2

Smiles:
COc1ccc([C@@H]2N[C@H]2C(=O)c2ccccc2O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)cc1

Aglycone:
COC(C)=O.COc1ccc(C2NC2C(=O)c2ccccc2O)cc1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.43
AlogP: 1.63 Num_rotatable_bonds: 11
MolWt: 598.61 Num_heavy_atoms: 43
TPSA: 174.7 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
AD44395
Formula: C16H15O3N

Smiles:
COc1ccc(C2NC2C(=O)c2ccccc2O)cc1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.19
AlogP: 2.3 Num_rotatable_bonds: 4
MolWt: 269.3 Num_heavy_atoms: 20
TPSA: 68.47 NumAromaticRings: 2

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O