Glycoside
GD028688
Name:
2-{[1-(5-ethyl-6-methylheptan-2-yl)-3a,9a,11a-trimethyl-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:
C36H62O6Smiles:
CC[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=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)C1CCC2(C)C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.89 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD18718
Formula: C30H52O
Smiles:
CCC(CCC(C)C1CCC2(C)C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.75 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
