Glycoside
GD128448
Name:
4a-hydroxy-7-methyl-1-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl acetateFormula:
C17H26O10Smiles:
CC(=O)OC1(C)CCC2(O)C=COC(OCC3OC(O)C(O)C(O)C3O)C21Aglycone:
COC1OC=CC2(O)CCC(C)(OC(C)=O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52026
Formula: C12H18O5
Smiles:
COC1OC=CC2(O)CCC(C)(OC(C)=O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
