Glycoside
...
GD028478

Name:
None

Formula:
C39H60O10

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

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

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 1 FractionCSP3: 0.85
AlogP: 6.67 Num_rotatable_bonds: 17
MolWt: 688.9 Num_heavy_atoms: 49
TPSA: 134.66 NumAromaticRings: 0

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
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

Sugarmoiety
SD00158

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