Glycoside
GD121197
Name:
7-{[6-(dihydroxymethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3,5-dihydroxy-2-{4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-4H-chromen-4-oneFormula:
C27H30O16Smiles:
CC1OC(Oc2cc(-c3oc4cc(OC5COC(C(O)O)C(O)C5O)cc(O)c4c(=O)c3O)ccc2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC(O)C1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
