Glycoside
GD128088
Name:
7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-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-3a,10,11-triolFormula:
C42H70O15Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(O)C(O)C3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 815.01 | Num_heavy_atoms: | 57 |
| TPSA: | 204.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45162
Formula: C21H34O5
Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.5 | Num_heavy_atoms: | 26 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
