Glycoside
GD126335
Name:
methyl 7-(acetyloxy)-4a,5-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C19H28O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)(OC(C)=O)CC(O)C12OAglycone:
COC(=O)C1=COC(O)C2C(C)(OC(C)=O)CC(O)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 32 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD51108
Formula: C13H18O8
Smiles:
COC(=O)C1=COC(O)C2C(C)(OC(C)=O)CC(O)C12O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 21 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
