Glycoside
GD136209
Name:
2-(6'-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2',3',4,4',5,6-hexahydroxy-[1,1'-biphenyl]-2-yl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C42H38O24Smiles:
CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3-c3c(-c4oc5cc(O)cc(O)c5c(=O)c4OC4OC(C)C(O)C(O)C4O)cc(O)c(O)c3O)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2-c2c(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(O)c(O)c2O)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.29 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 926.74 | Num_heavy_atoms: | 66 |
| TPSA: | 421.02 | NumAromaticRings: | 6 |
Unique Aglycone
AD55054
Formula: C30H18O16
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2-c2c(-c3oc4cc(O)cc(O)c4c(=O)c3O)cc(O)c(O)c2O)oc2cc(O)cc(O)c12| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.0 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 634.46 | Num_heavy_atoms: | 46 |
| TPSA: | 303.18 | NumAromaticRings: | 6 |
