Glycoside
...
GD025273

Name:
None

Formula:
C34H32O12N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](N2C(=O)C(=C3C(=O)Nc4ccc(C#CCCO)cc43)c3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1Nc2ccccc2C1=C1C(=O)Nc2ccc(C#CCCO)cc21

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 2 FractionCSP3: 0.35
AlogP: 1.71 Num_rotatable_bonds: 7
MolWt: 660.63 Num_heavy_atoms: 48
TPSA: 184.07 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
AD16779
Formula: C20H14O3N2

Smiles:
O=C1Nc2ccccc2C1=C1C(=O)Nc2ccc(C#CCCO)cc21
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.1
AlogP: 2.24 Num_rotatable_bonds: 1
MolWt: 330.34 Num_heavy_atoms: 25
TPSA: 78.43 NumAromaticRings: 2

Sugarmoiety
SD00012

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