Glycoside
GD015727
Name:
NoneFormula:
C31H52O11N2SSmiles:
CCCCCCCCCCCCNC(=O)C1CSC([C@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)N1C(C)=OAglycone:
CCCCCCCCCCCCNC(=O)C1CSCN1C(C)=OSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 21 |
| MolWt: | 660.83 | Num_heavy_atoms: | 45 |
| TPSA: | 174.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD11393
Formula: C18H34O2N2S
Smiles:
CCCCCCCCCCCCNC(=O)C1CSCN1C(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 342.55 | Num_heavy_atoms: | 23 |
| TPSA: | 49.41 | NumAromaticRings: | 0 |
