Glycoside
GD155162
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-{[4-methoxy-3a,6,6,9b,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}oxan-3-yl acetateFormula:
C44H72O13Smiles:
COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(OC4OC(CO)C(O)C(O)C4OC(C)=O)CC3(C)C12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 809.05 | Num_heavy_atoms: | 57 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45313
Formula: C31H52O3
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
