Glycoside
GD116942
Name:
2-(3,4-dihydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}-4H-chromen-4-oneFormula:
C33H40O23Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(OOC3OC(CO)C(O)C(O)C3O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OO)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.55 |
| AlogP: | -5.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 804.66 | Num_heavy_atoms: | 56 |
| TPSA: | 378.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD46540
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OO)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
