Glycoside
GD127043
Name:
3a,3b-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C32H44O12Smiles:
CC(=O)OC1CC2(O)C(C)(CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C=C4CCC32O)C1c1ccc(=O)oc1Aglycone:
CC(=O)OC1CC2(O)C(C)(CCC3C4(C)CCC(O)C=C4CCC32O)C1c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 620.69 | Num_heavy_atoms: | 44 |
| TPSA: | 196.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD51427
Formula: C26H34O7
Smiles:
CC(=O)OC1CC2(O)C(C)(CCC3C4(C)CCC(O)C=C4CCC32O)C1c1ccc(=O)oc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.55 | Num_heavy_atoms: | 33 |
| TPSA: | 117.2 | NumAromaticRings: | 1 |
