Glycoside
GD030266
Name:
NoneFormula:
C20H29O6N3Smiles:
NCCCCO[C@@H]1[C@H](NC(=O)Cc2c[nH]c3ccccc23)C(O)O[C@H](CO)[C@H]1OAglycone:
NC(=O)Cc1c[nH]c2ccccc12.NCCCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 407.47 | Num_heavy_atoms: | 29 |
| TPSA: | 150.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD19588
Formula: C10H10ON2
Smiles:
NC(=O)Cc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.2 | Num_heavy_atoms: | 13 |
| TPSA: | 58.88 | NumAromaticRings: | 2 |
AD19589
Formula: C4H11ON
Smiles:
NCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 89.14 | Num_heavy_atoms: | 6 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
