Glycoside
GD038775
Name:
n,n-bis(3-d-gluconamidopropyl)deoxycholamideFormula:
C42H75O15N3Smiles:
C[C@H](CCC(=O)N(CCCNC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)CCCNC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@@]12CAglycone:
CC(CCC(=O)N(CCCN)CCCN)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)CO.O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 22 |
| MolWt: | 862.07 | Num_heavy_atoms: | 60 |
| TPSA: | 321.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD24135
Formula: C30H55O3N3
Smiles:
CC(CCC(=O)N(CCCN)CCCN)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.79 | Num_heavy_atoms: | 36 |
| TPSA: | 112.81 | NumAromaticRings: | 0 |
