Glycoside
GD007352
Name:
NoneFormula:
C38H49O8N3Smiles:
CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCCCCCO[C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)c-2cc1CAglycone:
CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCCCCCO)c-2cc1CSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 675.82 | Num_heavy_atoms: | 49 |
| TPSA: | 166.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD05997
Formula: C32H39O3N3
Smiles:
CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCCCCCO)c-2cc1C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 6.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 513.68 | Num_heavy_atoms: | 38 |
| TPSA: | 86.86 | NumAromaticRings: | 2 |
