Glycoside
GD125919
Name:
[5-(acetyloxy)-3,4-dihydroxy-6-({2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl}oxy)oxan-2-yl]methyl acetateFormula:
C20H30O8Smiles:
CC(=O)OCC1OC(OC2C3CC=C(C)C2C3(C)C)C(OC(C)=O)C(O)C1OAglycone:
CC1=CCC2C(O)C1C2(C)C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.45 | Num_heavy_atoms: | 28 |
| TPSA: | 111.52 | 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 |
AD47272
Formula: C10H16O
Smiles:
CC1=CCC2C(O)C1C2(C)C| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.24 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
