Glycoside
GD157009
Name:
1-methyl 6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] 2,3-dihydroxy-5-(5-hydroxyhex-3-en-2-yl)-4-methyl-1,2,3,3a,4,5,6,8a-octahydroazulene-1,6-dicarboxylateFormula:
C26H40O12Smiles:
COC(=O)C1C(O)C(O)C2C(C)C(C(C)C=CC(C)O)C(C(=O)OC3C(CO)OC(O)C(O)C3O)C=CC12Aglycone:
COC(=O)C1C(O)C(O)C2C(C)C(C(C)C=CC(C)O)C(C(=O)O)C=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD62117
Formula: C20H30O7
Smiles:
COC(=O)C1C(O)C(O)C2C(C)C(C(C)C=CC(C)O)C(C(=O)O)C=CC12| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
