Glycoside
GD142226
Name:
7-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-[7-hydroxy-6-(hydroxymethyl)-3-oxoheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-oneFormula:
C45H72O18Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC(=O)C4C(C)C(=O)CCC(CO)CO)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC(C(=O)CCC(CO)CO)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 14 |
| MolWt: | 901.05 | Num_heavy_atoms: | 63 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD57242
Formula: C27H42O5
Smiles:
CC(C(=O)CCC(CO)CO)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
