Glycoside
GD028103
Name:
2-({10-hydroxy-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9b,11a-pentamethyl-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:
C36H60O9Smiles:
C[C@H](CCC=C(CO)CO)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@@]3(C)[C@H](O)C[C@]12CAglycone:
CC(CCC=C(CO)CO)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD18398
Formula: C30H50O4
Smiles:
CC(CCC=C(CO)CO)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
