Glycoside
GD119209
Name:
2-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-1,4-dihydronaphthalen-1-oneFormula:
C34H42O19Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)Cc4cc(O)cc(O)c4C3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 754.69 | Num_heavy_atoms: | 53 |
| TPSA: | 315.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD47722
Formula: C16H12O6
Smiles:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
