Glycoside
GD025188
Name:
3-{3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}cyclopent-2-en-1-oneFormula:
C31H48O6Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)CC5)CC[C@]43O)C2)O[C@H](C)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)CC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.72 | Num_heavy_atoms: | 37 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD16733
Formula: C24H36O3
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)CC3)CCC12O| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.55 | Num_heavy_atoms: | 27 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
