Glycoside
GD122266
Name:
3,4,5-trihydroxy-6-{[8-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-6-yl]oxy}oxane-2-carboxylic acidFormula:
C27H28O16Smiles:
CC1OC(Oc2c(-c3ccc(O)cc3)oc3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3c2=O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)cc(O)cc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.41 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.51 | Num_heavy_atoms: | 43 |
| TPSA: | 266.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD49253
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)cc(O)cc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
