Glycoside
GD157282
Name:
6-({5,6-dihydroxy-2-[4-hydroxy-2-(2-phenylethenyl)phenyl]-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxy-2-[(methylazaniumyl)methyl]oxane-2-carboxylateFormula:
C31H29O12NSmiles:
CNCC1(C(=O)O)OC(Oc2cc3oc(-c4ccc(O)cc4C=Cc4ccccc4)cc(=O)c3c(O)c2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2C=Cc2ccccc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
CNCC1(C(=O)O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 607.57 | Num_heavy_atoms: | 44 |
| TPSA: | 219.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD45771
Formula: C23H16O6
Smiles:
O=c1cc(-c2ccc(O)cc2C=Cc2ccccc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.38 | Num_heavy_atoms: | 29 |
| TPSA: | 111.13 | NumAromaticRings: | 4 |
