Glycoside
GD121935
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-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C43H48O25Smiles:
COc1c(OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)cc2oc(-c3ccc(O)cc3)c(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c(=O)c2c1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.44 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 964.83 | Num_heavy_atoms: | 68 |
| TPSA: | 404.34 | 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 |
AD04392
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
