Glycoside
GD003529
Name:
NoneFormula:
C24H32O10N4Smiles:
COC(=O)c1ccc(CNC[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:
COC(=O)c1ccc(CNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 536.54 | Num_heavy_atoms: | 38 |
| TPSA: | 207.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD03202
Formula: C19H23O7N3
Smiles:
COC(=O)c1ccc(CNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.41 | Num_heavy_atoms: | 29 |
| TPSA: | 142.88 | NumAromaticRings: | 2 |
