Glycoside

GD001285
Name:
NoneFormula:
C51H95O11N5SSmiles:
CCCCCCCCCCCCCCC[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12Aglycone:
CCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 3 |
HBD: | 10 | FractionCSP3: | 0.92 |
AlogP: | 6.16 | Num_rotatable_bonds: | 42 |
MolWt: | 986.41 | Num_heavy_atoms: | 68 |
TPSA: | 248.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD01320
Formula: C45H85O6N5S
Smiles:
CCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21HBA: | 11 | RingCount: | 2 |
HBD: | 7 | FractionCSP3: | 0.91 |
AlogP: | 8.34 | Num_rotatable_bonds: | 39 |
MolWt: | 824.27 | Num_heavy_atoms: | 57 |
TPSA: | 168.89 | NumAromaticRings: | 0 |