Glycoside
GD027857
Name:
NoneFormula:
C40H66O11N6Smiles:
CCCCCCCCC=CCCCCCCCCNC(=O)C1=CCN(C)[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(=O)N1CAglycone:
CCCCCCCCC=CCCCCCCCCNC(=O)C1=CCN(C)C(CO)C(=O)N1C.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 23 |
| MolWt: | 807.0 | Num_heavy_atoms: | 57 |
| TPSA: | 242.14 | 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 |
AD18261
Formula: C27H49O3N3
Smiles:
CCCCCCCCC=CCCCCCCCCNC(=O)C1=CCN(C)C(CO)C(=O)N1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 18 |
| MolWt: | 463.71 | Num_heavy_atoms: | 33 |
| TPSA: | 72.88 | NumAromaticRings: | 0 |
