Glycoside
GD011975
Name:
NoneFormula:
C24H34O8N4Smiles:
Cc1ccc(CCNC[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)cc1Aglycone:
Cc1ccc(CCNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 506.56 | Num_heavy_atoms: | 36 |
| TPSA: | 181.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD09066
Formula: C19H25O5N3
Smiles:
Cc1ccc(CCNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 116.58 | NumAromaticRings: | 2 |
