Glycoside
...
GD122369

Name:
Plantagiolide J

Formula:
C36H52O15

Smiles:
CC(=O)OC1CC2C(C3OC3C3(O)CC4OC4C(O)C23C)C2CC(O)C(C(C)C3CC(C)=C(COC4OC(CO)C(O)C(O)C4O)C(=O)O3)C12C

Aglycone:
CC(=O)OC1CC2C(C3OC3C3(O)CC4OC4C(O)C23C)C2CC(O)C(C(C)C3CC(C)=C(CO)C(=O)O3)C12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 7 FractionCSP3: 0.89
AlogP: -1.31 Num_rotatable_bonds: 7
MolWt: 724.8 Num_heavy_atoms: 51
TPSA: 237.73 NumAromaticRings: 0

Unique Aglycone
AD49301
Formula: C30H42O10

Smiles:
CC(=O)OC1CC2C(C3OC3C3(O)CC4OC4C(O)C23C)C2CC(O)C(C(C)C3CC(C)=C(CO)C(=O)O3)C12C
HBA: 10 RingCount: 7
HBD: 4 FractionCSP3: 0.87
AlogP: 0.87 Num_rotatable_bonds: 4
MolWt: 562.66 Num_heavy_atoms: 40
TPSA: 158.58 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O