Glycoside
GD124675
Name:
{6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C44H50O26Smiles:
COc1ccc(-c2oc3cc(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.45 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 15 |
| MolWt: | 994.86 | Num_heavy_atoms: | 70 |
| TPSA: | 413.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD48391
Formula: C17H14O8
Smiles:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
