Glycoside
GD128242
Name:
8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-2-oneFormula:
C22H30O14Smiles:
CC1OC(OCC2=CC3OC(=O)C4=COC(OC5OC(CO)C(O)C(O)C5O)C2C43)C(O)C(O)C1OAglycone:
O=C1OC2C=C(CO)C3C(O)OC=C1C23Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.47 | Num_heavy_atoms: | 36 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD14606
Formula: C10H10O5
Smiles:
O=C1OC2C=C(CO)C3C(O)OC=C1C23| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
