Glycoside
GD150631
Name:
Sch42729Formula:
C31H58O10N2Smiles:
CCC1CCCC(CC)C(O)=NCCCC(CC)C(OC2OC(C)C(O)C(N)C2OC2OC(CO)C(O)C(O)C2O)CC1Aglycone:
CCC1CCCC(CC)C(O)=NCCCC(CC)C(O)CC1Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(N)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.81 | Num_heavy_atoms: | 43 |
| TPSA: | 196.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD57837
Formula: C19H37O2N
Smiles:
CCC1CCCC(CC)C(O)=NCCCC(CC)C(O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.51 | Num_heavy_atoms: | 22 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
