Glycoside
...
GD113880

Name:
None

Formula:
C44H44O11N4

Smiles:
COc1ccc(C(OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

Aglycone:
COc1ccc(C(c2ccccc2)c2ccc(OC)cc2)cc1.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C

Sugarmoiety:
CC(=O)OC(O)C(OC(C)=O)C(COO)OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 1 FractionCSP3: 0.3
AlogP: 5.02 Num_rotatable_bonds: 15
MolWt: 804.85 Num_heavy_atoms: 59
TPSA: 187.23 NumAromaticRings: 4

Unique Aglycone
AD07263
Formula: C13H12O2N4

Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.23
AlogP: 0.74 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 80.64 NumAromaticRings: 1
AD44834
Formula: C21H20O2

Smiles:
COc1ccc(C(c2ccccc2)c2ccc(OC)cc2)cc1
HBA: 2 RingCount: 3
HBD: 0 FractionCSP3: 0.14
AlogP: 4.88 Num_rotatable_bonds: 5
MolWt: 304.39 Num_heavy_atoms: 23
TPSA: 18.46 NumAromaticRings: 3

Sugarmoiety
SD04286

CC(=O)OC(O)C(OC(C)=O)C(COO)OC(C)=O