Glycoside
GD012695
Name:
STREPTOVIRUDIN A2Formula:
C35H56O16N4Smiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](C[C@H](O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)C=CCCCCCCC(C)C)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)CCCCCCC=CC(N)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.77 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 17 |
| MolWt: | 788.84 | Num_heavy_atoms: | 55 |
| TPSA: | 311.82 | 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 |
AD01821
Formula: C12H23ON
Smiles:
CC(C)CCCCCCC=CC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 197.32 | Num_heavy_atoms: | 14 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
