Glycoside
...
GD004494

Name:
None

Formula:
C33H47O9Cl

Smiles:
CO[C@H]1[C@H](C)O[C@@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)O)C(O)[C@H]1OC(=O)CCCCCl

Aglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O.O=C(O)CCCCCl

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.84
AlogP: 4.37 Num_rotatable_bonds: 12
MolWt: 611.17 Num_heavy_atoms: 42
TPSA: 128.59 NumAromaticRings: 0

Unique Aglycone
AD00440
Formula: C20H28O4

Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.8
AlogP: 2.9 Num_rotatable_bonds: 4
MolWt: 332.44 Num_heavy_atoms: 24
TPSA: 74.6 NumAromaticRings: 0
AD03915
Formula: C6H9O2Cl

Smiles:
O=C(O)CCCCCl
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.48 Num_rotatable_bonds: 4
MolWt: 136.58 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00158

COC1C(C)OC(O)C(O)C1O