Glycoside
GD135175
Name:
(6-{[1,7-dimethyl-4-(propan-2-yl)cyclodeca-2,7-dien-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C23H38O7Smiles:
CC(=O)OCC1OC(OC2(C)C=CC(C(C)C)CCC(C)=CCC2)C(O)C(O)C1OAglycone:
CC1=CCCC(C)(O)C=CC(C(C)C)CC1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.55 | Num_heavy_atoms: | 30 |
| TPSA: | 105.45 | 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 |
AD48973
Formula: C15H26O
Smiles:
CC1=CCCC(C)(O)C=CC(C(C)C)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
