Glycoside
GD149124
Name:
7-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-(4-hydroxyphenyl)-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)methyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C38H48O23Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)c(C3OC(CO)C(O)C(O)C3O)c(CC3OC(O)C(O)C(O)C3O)c12Aglycone:
Cc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.61 |
| AlogP: | -6.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 872.78 | Num_heavy_atoms: | 61 |
| TPSA: | 389.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD59635
Formula: C16H12O4
Smiles:
Cc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
