Glycoside
GD001912
Name:
NoneFormula:
C28H50O11N8Smiles:
Cc1cn([C@@H]2O[C@H](C(=O)NCCCCCCN[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.NC1CC(N)C(O)C(NCCCCCCNC=O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.82 |
| AlogP: | -6.36 | Num_rotatable_bonds: | 13 |
| MolWt: | 674.75 | Num_heavy_atoms: | 47 |
| TPSA: | 328.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01861
Formula: C13H28O3N4
Smiles:
NC1CC(N)C(O)C(NCCCCCCNC=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 288.39 | Num_heavy_atoms: | 20 |
| TPSA: | 133.63 | NumAromaticRings: | 0 |
