Glycoside
GD017500
Name:
NoneFormula:
C58H88O23N17S3Smiles:
CCOC(=O)C[S+](C)CCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@H]3O)c3c[nH]cn3)C(C)O)n2)n1Aglycone:
CCOC(=O)C[S+](C)CCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1Sugarmoiety:
NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 6 |
| HBD: | 25 | FractionCSP3: | 0.62 |
| AlogP: | -7.77 | Num_rotatable_bonds: | 38 |
| MolWt: | 1487.64 | Num_heavy_atoms: | 101 |
| TPSA: | 653.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD12479
Formula: C45H67O12N16S3
Smiles:
CCOC(=O)C[S+](C)CCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1| HBA: | 28 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.53 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 31 |
| MolWt: | 1120.33 | Num_heavy_atoms: | 76 |
| TPSA: | 462.98 | NumAromaticRings: | 4 |
