Glycoside
GD125574
Name:
2-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-eneperoxoateFormula:
C35H34O20Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OOC1C(OC2C(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC(CO)C(O)C2O)OCC(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OO.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.31 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 774.64 | Num_heavy_atoms: | 55 |
| TPSA: | 325.19 | NumAromaticRings: | 4 |
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 |
AD50788
Formula: C9H8O5
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.16 | Num_heavy_atoms: | 14 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
