Glycoside
GD117928
Name:
1-(2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethan-1-oneFormula:
C30H48O9Smiles:
CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC12CAglycone:
CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 552.71 | Num_heavy_atoms: | 39 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47090
Formula: C24H38O4
Smiles:
CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.56 | Num_heavy_atoms: | 28 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
