Glycoside
GD125433
Name:
1-(6-hydroxy-6-methyl-5-methylideneheptan-2-yl)-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-oneFormula:
C37H60O9Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(CO)C1CC3=O)C(C)(C)OAglycone:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3=O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50734
Formula: C31H50O4
Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3=O)C(C)(C)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
