Glycoside
GD137368
Name:
NoneFormula:
C28H34O11N2Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(OOCC(O)C(O)(Cn1c(O)cc2[nH]ccc21)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3.Cn1c(O)cc2[nH]ccc21Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 200.0 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD52136
Formula: C7H8ON2
Smiles:
Cn1c(O)cc2[nH]ccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 40.95 | NumAromaticRings: | 2 |
