Glycoside
GD121556
Name:
2-({2-[(10,12-dihydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H72O14Smiles:
COC1C=C2C3CC(C)(C)CCC3(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC2(C)C2(C)CCC3C(C)(C)C(O)CC(O)C3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)CCC2(C)C2(C)CCC3C(C)(C)C(O)CC(O)C3(C)C12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 813.03 | Num_heavy_atoms: | 57 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD48938
Formula: C31H52O4
Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)CCC2(C)C2(C)CCC3C(C)(C)C(O)CC(O)C3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
