Glycoside
GD003118
Name:
STREPTOVIRUDIN D1Formula:
C38H64O16N4Smiles:
CCC(C)CCCCCCCCC=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)NC3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCC(C)CCCCCCCCC=CC(N)=O.O=C1CCNC(=O)N1Sugarmoiety:
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: | 0.84 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 20 |
| MolWt: | 832.94 | Num_heavy_atoms: | 58 |
| TPSA: | 306.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD01822
Formula: C4H6O2N2
Smiles:
O=C1CCNC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
AD02867
Formula: C15H29ON
Smiles:
CCC(C)CCCCCCCCC=CC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 239.4 | Num_heavy_atoms: | 17 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
