Glycoside
GD124795
Name:
NoneFormula:
C33H42O11N3Smiles:
Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)(CN1CC=C2[NH+]=CC=C21)C(O)C(O)CO)C3Aglycone:
CN1CC=C2[NH+]=CC=C21.Cc1cc(=O)c2cc3c(cc2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 656.71 | Num_heavy_atoms: | 47 |
| TPSA: | 208.85 | NumAromaticRings: | 2 |
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 |
AD45576
Formula: C7H9N2
Smiles:
CN1CC=C2[NH+]=CC=C21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.16 | Num_heavy_atoms: | 9 |
| TPSA: | 17.21 | NumAromaticRings: | 0 |
