Glycoside
GD116302
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-2,3,4,5,6-pentamethyl-6-{[(3,4,5-trihydroxy-2,3,4,5,6,6-hexamethyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C37H50O16Smiles:
CC1(C)OC(C)(OCC2(C)OC(C)(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(C)(O)C(C)(O)C2(C)O)C(C)(O)C(C)(O)C1(C)OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1(C)OC(C)(OCC2(C)OC(C)(O)C(C)(O)C(C)(O)C2(C)O)C(C)(O)C(C)(O)C1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 750.79 | Num_heavy_atoms: | 53 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
