Glycoside
GD126343
Name:
2-{[1-(1-methoxypropan-2-yl)-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C38H64O12Smiles:
COCC(C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12CAglycone:
COCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 712.92 | Num_heavy_atoms: | 50 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD51112
Formula: C26H44O2
Smiles:
COCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.64 | Num_heavy_atoms: | 28 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
