Glycoside
GD129680
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,4-dihydronaphthalene-1,4-dioneFormula:
C28H30O16Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)C(=O)c4cc(O)cc(O)c4C3=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1C(c2ccc(O)c(O)c2)=C(O)C(=O)c2c(O)cc(O)cc21Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 273.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD52535
Formula: C16H10O7
Smiles:
O=C1C(c2ccc(O)c(O)c2)=C(O)C(=O)c2c(O)cc(O)cc21| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
