Glycoside
GD001272
Name:
3,5-dihydroxy-2-{[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-6-methyloxan-4-yl 3,4,5-trihydroxybenzoateFormula:
C29H26O16Smiles:
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 630.51 | Num_heavy_atoms: | 45 |
| TPSA: | 266.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD01308
Formula: C16H12O8
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
