Glycoside
...
GD122433

Name:
None

Formula:
C42H48O19N2

Smiles:
CC(C)CCC1=CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C(O)C2O

Aglycone:
CC(C)CCC1=CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 14 FractionCSP3: 0.45
AlogP: -1.11 Num_rotatable_bonds: 10
MolWt: 884.84 Num_heavy_atoms: 63
TPSA: 361.85 NumAromaticRings: 3

Unique Aglycone
AD49332
Formula: C36H40O13N2

Smiles:
CC(C)CCC1=CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O
HBA: 15 RingCount: 6
HBD: 11 FractionCSP3: 0.39
AlogP: 1.54 Num_rotatable_bonds: 8
MolWt: 708.72 Num_heavy_atoms: 51
TPSA: 265.63 NumAromaticRings: 3

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O