Glycoside
GD114675
Name:
2-(hydroxymethyl)-6-{[6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triolFormula:
C37H62O7Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(CO)C1CC3)C(C)CAglycone:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 618.9 | Num_heavy_atoms: | 44 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD45204
Formula: C31H52O2
Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 7.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.76 | Num_heavy_atoms: | 33 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
