Glycoside
GD005628
Name:
STREPTOVIRUDIN B2Formula:
C36H58O16N4Smiles:
CCC(C)CCCCCCC=CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@H](O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCC(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: | 0.78 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 18 |
| MolWt: | 802.87 | Num_heavy_atoms: | 56 |
| 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 |
AD04753
Formula: C13H25ON
Smiles:
CCC(C)CCCCCCC=CC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 211.35 | Num_heavy_atoms: | 15 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
