Glycoside
GD116828
Name:
1-(7-{[4-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethan-1-oneFormula:
C39H62O16Smiles:
CC(=O)C1=CCC2C3CCC4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 786.91 | Num_heavy_atoms: | 55 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD46473
Formula: C21H32O2
Smiles:
CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.49 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
