Glycoside
GD152400
Name:
(6-{[2-(8a-methyl-8-methylidene-decahydronaphthalen-2-yl)propan-2-yl]oxy}-3,4-bis(acetyloxy)-5-hydroxyoxan-2-yl)methyl acetateFormula:
C27H42O9Smiles:
C=C1CCCC2CCC(C(C)(C)OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3O)CC12CAglycone:
C=C1CCCC2CCC(C(C)(C)O)CC12C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 117.59 | NumAromaticRings: | 0 |
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 |
AD60685
Formula: C15H26O
Smiles:
C=C1CCCC2CCC(C(C)(C)O)CC12C| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
