Glycoside
GD127277
Name:
4-{3a,8-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H44O8Smiles:
COC1CC(OC2CC3CCC4C(CCC5(C)C(C6=CC(=O)OC6)=CCC45O)C3(C)CC2O)OC(C)C1OAglycone:
CC12CC(O)C(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.67 | Num_heavy_atoms: | 38 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD51536
Formula: C23H32O5
Smiles:
CC12CC(O)C(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)=CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
