Glycoside
GD151420
Name:
NoneFormula:
C32H40O10N2Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C1CCCC1)C(OOCC(O)C(O)(Cn1ccc2[nH]ccc21)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C1CCCC1)C(O)C3.Cn1ccc2[nH]ccc21Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 612.68 | Num_heavy_atoms: | 44 |
| TPSA: | 179.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD45137
Formula: C7H8N2
Smiles:
Cn1ccc2[nH]ccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 20.72 | NumAromaticRings: | 2 |
AD45609
Formula: C19H22O4
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C1CCCC1)C(O)C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.38 | Num_heavy_atoms: | 23 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
