Glycoside
GD024546
Name:
2-{[1-(5-ethyl-6-methylheptan-2-yl)-4-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H60O7Smiles:
CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(O)C=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.86 | Num_heavy_atoms: | 42 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD16368
Formula: C29H50O2
Smiles:
CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.72 | Num_heavy_atoms: | 31 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
