Glycoside
GD012243
Name:
NoneFormula:
C28H38O5N8S2Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)CCCC[C@@H]5CCSS5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(NC(=O)CCCCC3CCSS3)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 13 |
| MolWt: | 630.8 | Num_heavy_atoms: | 43 |
| TPSA: | 189.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD09246
Formula: C21H26ON7S2
Smiles:
Nc1nc(NCCc2ccc(NC(=O)CCCCC3CCSS3)cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 456.62 | Num_heavy_atoms: | 31 |
| TPSA: | 119.39 | NumAromaticRings: | 2 |
