Glycoside
GD142917
Name:
2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triolFormula:
C36H36O16Smiles:
OCC1OC(OC2Cc3ccc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)c(O)c5)C4O)c3OC2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)ccc2c1OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.33 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 724.67 | Num_heavy_atoms: | 52 |
| TPSA: | 279.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD57498
Formula: C30H26O11
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)ccc2c1OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 11 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.2 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 562.53 | Num_heavy_atoms: | 41 |
| TPSA: | 200.53 | NumAromaticRings: | 4 |
