Glycoside
GD114262
Name:
4-{3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H44O7Smiles:
COC1CC(OC2CCC3(C)C4=C(CCC3C2)C2(O)CCC(C3=CC(=O)OC3)C2(C)CC4)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC1=C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 94.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD44941
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1CCC1=C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
