Glycoside
GD028447
Name:
NoneFormula:
C36H64O12N6Smiles:
CCCCCCCCCCCCCCC[C@H](N)C(=O)NCCCN[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:
CCCCCCCCCCCCCCCC(N)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.83 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 27 |
| MolWt: | 772.94 | Num_heavy_atoms: | 54 |
| TPSA: | 293.94 | 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 |
AD18582
Formula: C23H47O4N3
Smiles:
CCCCCCCCCCCCCCCC(N)C(=O)NCCCNC(CO)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 22 |
| MolWt: | 429.65 | Num_heavy_atoms: | 30 |
| TPSA: | 124.68 | NumAromaticRings: | 0 |
