Glycoside
GD033925
Name:
NoneFormula:
C57H106O8N4Smiles:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)OC[C@@H]1O[C@H](OC)[C@H](OCCN)[C@H](OCCN)[C@H]1OCCNAglycone:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)OCSugarmoiety:
COC1OC(O)C(OCCN)C(OCCN)C1OCCNOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 12.21 | Num_rotatable_bonds: | 48 |
| MolWt: | 975.49 | Num_heavy_atoms: | 69 |
| TPSA: | 170.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD09897
Formula: C45H81O3N
Smiles:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 14.44 | Num_rotatable_bonds: | 36 |
| MolWt: | 684.15 | Num_heavy_atoms: | 49 |
| TPSA: | 46.61 | NumAromaticRings: | 1 |
