Glycoside
GD011907
Name:
NoneFormula:
C34H53O10N3S2Smiles:
CCCCCCCCC=CCCCCCCCC(=O)Nc1nnc(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)s1Aglycone:
CCCCCCCCC=CCCCCCCCC(=O)Nc1nnc(S)s1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 6.69 | Num_rotatable_bonds: | 23 |
| MolWt: | 727.94 | Num_heavy_atoms: | 49 |
| TPSA: | 169.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD09025
Formula: C20H35ON3S2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)Nc1nnc(S)s1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 6.8 | Num_rotatable_bonds: | 16 |
| MolWt: | 397.65 | Num_heavy_atoms: | 26 |
| TPSA: | 54.88 | NumAromaticRings: | 1 |
