Glycoside
GD017959
Name:
NoneFormula:
C35H62O22N2Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)C[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1OCCCCCCNAglycone:
NCCCCCCO.O=C(O)C1(O)CC(O)CC(C(O)C(O)CO)O1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.94 |
| AlogP: | -6.8 | Num_rotatable_bonds: | 20 |
| MolWt: | 862.87 | Num_heavy_atoms: | 59 |
| TPSA: | 388.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD04152
Formula: C6H15ON
Smiles:
NCCCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 117.19 | Num_heavy_atoms: | 8 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
AD12753
Formula: C9H16O8
Smiles:
O=C(O)C1(O)CC(O)CC(C(O)C(O)CO)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 252.22 | Num_heavy_atoms: | 17 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
