Glycoside
GD103936
Name:
6-({9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C25H36O8Smiles:
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=OAglycone:
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.56 | Num_heavy_atoms: | 33 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD16165
Formula: C19H28O2
Smiles:
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.43 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
