Glycoside
GD114567
Name:
NoneFormula:
C33H41O11N3Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)(Cn1ccc2[nH]ccc21)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3.Cn1ccc2[nH]ccc21Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 655.7 | Num_heavy_atoms: | 47 |
| TPSA: | 212.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD45136
Formula: C20H23O5N
Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.41 | Num_heavy_atoms: | 26 |
| TPSA: | 92.26 | NumAromaticRings: | 2 |
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 |
