Glycoside
GD118180
Name:
7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,3a,11-triolFormula:
C28H46O8Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(O)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.67 | Num_heavy_atoms: | 36 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD47226
Formula: C21H34O5
Smiles:
CC(O)C1(O)CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.5 | Num_heavy_atoms: | 26 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
