Glycoside
GD147288
Name:
1-(4,5-dihydroxy-2-{[7-hydroxy-1-(7-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethan-1-oneFormula:
C35H58O8Smiles:
CC(=O)C1C(OC2CC(C(C)CCCC(C)CO)C3(C)CCC4C(CC=C5CC(O)CCC54C)C23)OC(CO)C(O)C1OAglycone:
CC(CO)CCCC(C)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC(=O)C1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 606.84 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58991
Formula: C27H46O3
Smiles:
CC(CO)CCCC(C)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
