Glycoside
GD125533
Name:
1-(7-hydroxy-6-methyl-3-oxoheptan-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-2-oneFormula:
C33H52O9Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.77 | Num_heavy_atoms: | 42 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01405
Formula: C27H42O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
