Glycoside
GD115756
Name:
6'-O-Menthiafoloylmussaenosidic AcidFormula:
C26H38O12Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(OC2OC=C(C(=O)O)C3CCC(C)(O)C23)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC.CC1(O)CCC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD10227
Formula: C10H14O5
Smiles:
CC1(O)CCC2C(C(=O)O)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD16362
Formula: C11H18O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
