Glycoside
...
GD005510

Name:
None

Formula:
C30H29O11N3

Smiles:
CC(=O)OCC1OC(n2c(-c3ccc(N)cc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)[nH]c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.33
AlogP: 2.48 Num_rotatable_bonds: 8
MolWt: 607.57 Num_heavy_atoms: 44
TPSA: 199.38 NumAromaticRings: 3

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
AD04677
Formula: C16H11O2N3

Smiles:
N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)[nH]c1=O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.76 Num_rotatable_bonds: 2
MolWt: 277.28 Num_heavy_atoms: 21
TPSA: 95.81 NumAromaticRings: 3

Sugarmoiety
SD00012

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