Glycoside
GD146533
Name:
2-(2-{4-[3-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-oxopropyl]phenoxy}-4,5-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C42H42O21Smiles:
O=C(CCc1ccc(Oc2cc(O)c(O)cc2-c2cc(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3o2)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(CCc1ccc(Oc2cc(O)c(O)cc2-c2cc(=O)c3c(O)cc(O)cc3o2)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.33 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 13 |
| MolWt: | 882.78 | Num_heavy_atoms: | 63 |
| TPSA: | 356.42 | NumAromaticRings: | 5 |
Unique Aglycone
AD58749
Formula: C30H22O11
Smiles:
O=C(CCc1ccc(Oc2cc(O)c(O)cc2-c2cc(=O)c3c(O)cc(O)cc3o2)cc1)c1c(O)cc(O)cc1O| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.5 | Num_heavy_atoms: | 41 |
| TPSA: | 198.12 | NumAromaticRings: | 5 |
