Glycoside
...
GD014460

Name:
None

Formula:
C31H33O11N3

Smiles:
COc1ccc(C=C2C(=O)N(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c3ccccc3N=C2N)cc1

Aglycone:
COC(C)=O.COc1ccc(C=C2C(=O)Nc3ccccc3N=C2N)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.35
AlogP: 2.2 Num_rotatable_bonds: 8
MolWt: 623.62 Num_heavy_atoms: 45
TPSA: 182.35 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
AD10627
Formula: C17H15O2N3

Smiles:
COc1ccc(C=C2C(=O)Nc3ccccc3N=C2N)cc1
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.72 Num_rotatable_bonds: 2
MolWt: 293.33 Num_heavy_atoms: 22
TPSA: 76.71 NumAromaticRings: 2

Sugarmoiety
SD00012

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