Glycoside
GD154131
Name:
1-(5,6-dimethylheptan-2-yl)-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-10-oneFormula:
C34H56O7Smiles:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3C(=O)CC12CAglycone:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 576.82 | Num_heavy_atoms: | 41 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD61257
Formula: C28H46O2
Smiles:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)CC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 6.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.67 | Num_heavy_atoms: | 30 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
