Glycoside
GD139249
Name:
4-[1-(9-hydroxy-9a,11a-dimethyl-7-{[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)ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-oneFormula:
C34H52O10Smiles:
CC(C1CC2(C)OC2(C)C(=O)O1)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CC(O)C4(C)C3CCC12CAglycone:
CC(C1CC2(C)OC2(C)C(=O)O1)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 620.78 | Num_heavy_atoms: | 44 |
| TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD56152
Formula: C28H42O5
Smiles:
CC(C1CC2(C)OC2(C)C(=O)O1)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
