Glycoside
GD031815
Name:
NoneFormula:
C47H88O10N2SSmiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN1CCCS[C@H](CCC(=O)O)C(=O)N[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1=OAglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN1CCCSC(CCC(=O)O)C(=O)NC(CO)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 8.29 | Num_rotatable_bonds: | 35 |
| MolWt: | 873.29 | Num_heavy_atoms: | 60 |
| TPSA: | 186.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD20471
Formula: C41H78O5N2S
Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN1CCCSC(CCC(=O)O)C(=O)NC(CO)C1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 10.46 | Num_rotatable_bonds: | 32 |
| MolWt: | 711.15 | Num_heavy_atoms: | 49 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
