Glycoside
GD123654
Name:
2,8,8-trimethyl-7-({2,3,4,5,6-pentahydroxy-2-[(4-hydroxyphenyl)methyl]hexyl}peroxy)-4H,6H,7H,8H-pyrano[3,2-g]chromen-4-oneFormula:
C28H34O11Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3.Cc1ccc(O)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD12449
Formula: C15H16O4
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
