Glycoside
GD000890
Name:
NoneFormula:
C26H38O8N4Smiles:
CC(C)(C)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:
CC(C)(C)c1ccc(CNCC(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: | 0.62 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.61 | Num_heavy_atoms: | 38 |
| TPSA: | 181.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00932
Formula: C21H29O5N3
Smiles:
CC(C)(C)c1ccc(CNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.48 | Num_heavy_atoms: | 29 |
| TPSA: | 116.58 | NumAromaticRings: | 2 |
