Glycoside
GD099742
Name:
6-({1,2-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C24H32O9Smiles:
C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2OAglycone:
CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.51 | Num_heavy_atoms: | 33 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD02787
Formula: C18H24O3
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.39 | Num_heavy_atoms: | 21 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
