Glycoside
GD116380
Name:
1-ethylidene-2-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C39H60O16Smiles:
CC=C1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12CAglycone:
CC=C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 784.89 | Num_heavy_atoms: | 55 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD46203
Formula: C21H30O2
Smiles:
CC=C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 314.47 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
