Glycoside
GD122381
Name:
6-{[3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C36H58O7Smiles:
CC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 6.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 602.85 | Num_heavy_atoms: | 43 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD13575
Formula: C30H50O
Smiles:
CC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 8.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.73 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
