Glycoside
GD127686
Name:
2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 6-hydroxy-7-methyl-1-oxo-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-4-carboxylateFormula:
C25H32O13Smiles:
CC1=C2C(=O)OCC(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(C)OC34)C2CC1OAglycone:
CC1=C2C(=O)OCC(C(=O)OC3C4C=COC(O)C4C4(C)OC34)C2CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 193.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD51709
Formula: C19H22O8
Smiles:
CC1=C2C(=O)OCC(C(=O)OC3C4C=COC(O)C4C4(C)OC34)C2CC1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 114.82 | NumAromaticRings: | 0 |
