Glycoside
GD039784
Name:
(5s)-5'-o-(5-amino-5-deoxy-beta-d-ribofuranosyl)-5'-c-[(2s,5s,6s)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridineFormula:
C39H67O12N5Smiles:
CCCCCCCCCCCCCCCCC[C@@H]1CN(C)[C@@H]([C@@H](O[C@H]2O[C@H](CN)[C@H](O)[C@@H]2O)[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)C(=O)N(C)[C@H]1C(=O)OAglycone:
CCCCCCCCCCCCCCCCCC1CN(C)C(CO)C(=O)N(C)C1C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 23 |
| MolWt: | 797.99 | Num_heavy_atoms: | 56 |
| TPSA: | 250.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD19842
Formula: C26H50O4N2
Smiles:
CCCCCCCCCCCCCCCCCC1CN(C)C(CO)C(=O)N(C)C1C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 18 |
| MolWt: | 454.7 | Num_heavy_atoms: | 32 |
| TPSA: | 81.08 | NumAromaticRings: | 0 |
