Glycoside
...
GD156093

Name:
Boerhavilanostenyl Benzoate

Formula:
C43H64O8

Smiles:
CC(CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(=O)CCC4(C)C3CCC12C)COC1OC(CO)C(OC(=O)c2ccccc2)C(O)C1O

Aglycone:
CC(CO)CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(=O)CCC4(C)C3CCC12C.O=C(O)c1ccccc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.77
AlogP: 7.28 Num_rotatable_bonds: 11
MolWt: 708.98 Num_heavy_atoms: 51
TPSA: 122.52 NumAromaticRings: 1

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD61843
Formula: C30H50O2

Smiles:
CC(CO)CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(=O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.9
AlogP: 7.6 Num_rotatable_bonds: 6
MolWt: 442.73 Num_heavy_atoms: 32
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00003

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