Glycoside
GD151026
Name:
2-[(2-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-3b,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O10Smiles:
CCC(C=CC(C)C1CCC2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CC3=CCC12C)C(C)CAglycone:
CCC(C=CC(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC3=CCC12C)C(C)CSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 720.99 | Num_heavy_atoms: | 51 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD60272
Formula: C30H50O
Smiles:
CCC(C=CC(C)C1CCC2C1(C)CCC1C3(C)CCC(O)CC3=CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 8.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.73 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
