Glycoside
GD133733
Name:
2-(hydroxymethyl)-6-[(10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-5-yl)oxy]oxane-3,4,5-triolFormula:
C25H30O13Smiles:
OCC1OC(Oc2c3c(c(OC4OC(CO)C(O)C(O)C4O)c4ccccc24)COC=C3)C(O)C(O)C1OAglycone:
Oc1c2c(c(O)c3ccccc13)COC=C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD52555
Formula: C13H10O3
Smiles:
Oc1c2c(c(O)c3ccccc13)COC=C2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.22 | Num_heavy_atoms: | 16 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
