Glycoside

GD033495
Name:
NoneFormula:
C46H78O28N4SSmiles:
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H]1OAglycone:
NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(O)OC(CO)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 32 | RingCount: | 7 |
HBD: | 20 | FractionCSP3: | 0.93 |
AlogP: | -10.4 | Num_rotatable_bonds: | 25 |
MolWt: | 1167.2 | Num_heavy_atoms: | 79 |
TPSA: | 506.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD07372
Formula: C16H28O3N4S
Smiles:
NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21HBA: | 7 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.81 |
AlogP: | 0.87 | Num_rotatable_bonds: | 11 |
MolWt: | 356.49 | Num_heavy_atoms: | 24 |
TPSA: | 113.32 | NumAromaticRings: | 0 |
Sugarmoiety

SD01621
OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(O)OC(CO)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1O