Glycoside
GD148922
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-8-yl]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C36H36O16Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(c2c(OC3OC(CO)C(O)C(O)C3O)ccc3c(=O)cc(-c4ccc(O)cc4)oc23)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 724.67 | Num_heavy_atoms: | 52 |
| TPSA: | 266.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD44272
Formula: C15H10O4
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
