Glycoside
GD155805
Name:
7-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-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,3b,11-tetrolFormula:
C34H56O12Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4CC(O)C4(C)C(O)(C(C)O)CCC54O)C3)OC2C)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 656.81 | Num_heavy_atoms: | 46 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD46580
Formula: C21H34O6
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.5 | Num_heavy_atoms: | 27 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
