Glycoside
GD020274
Name:
NoneFormula:
C35H63O22N3Smiles:
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@H](N)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1OCCCCCCNAglycone:
NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.NCCCCCCOSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.94 |
| AlogP: | -7.86 | Num_rotatable_bonds: | 20 |
| MolWt: | 877.89 | Num_heavy_atoms: | 60 |
| TPSA: | 414.81 | 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 |
AD05355
Formula: C9H17O8N
Smiles:
NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 9 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.23 | Num_heavy_atoms: | 18 |
| TPSA: | 173.7 | NumAromaticRings: | 0 |
