Glycoside
GD017434
Name:
NoneFormula:
C28H48O11N4Smiles:
CCCCCCCCCCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.82 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 19 |
| MolWt: | 616.71 | Num_heavy_atoms: | 43 |
| TPSA: | 238.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD12436
Formula: C15H31O3N
Smiles:
CCCCCCCCCCCCNC(CO)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 14 |
| MolWt: | 273.42 | Num_heavy_atoms: | 19 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
