Glycoside
...
GD032542

Name:
None

Formula:
C36H38O13N2

Smiles:
COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)[nH]c2ccccc12

Aglycone:
COC(=O)Cc1c(-c2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 1 FractionCSP3: 0.39
AlogP: 3.48 Num_rotatable_bonds: 11
MolWt: 706.7 Num_heavy_atoms: 51
TPSA: 187.75 NumAromaticRings: 4

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
AD14772
Formula: C22H20O4N2

Smiles:
COC(=O)Cc1c(-c2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.18
AlogP: 3.75 Num_rotatable_bonds: 5
MolWt: 376.41 Num_heavy_atoms: 28
TPSA: 84.18 NumAromaticRings: 4

Sugarmoiety
SD00012

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