Glycoside
GD109278
Name:
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]oxy}-4H-chromene-2-carboxylic acidFormula:
C29H32O12Smiles:
C[C@]1(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)O[C@](C)(CO)[C@@](C)(O)[C@@](C)(O)[C@@]1(C)OAglycone:
O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2Sugarmoiety:
CC1(O)OC(C)(CO)C(C)(O)C(C)(O)C1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD44221
Formula: C18H12O7
Smiles:
O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.29 | Num_heavy_atoms: | 25 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
