Glycoside
GD037793
Name:
(2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamideFormula:
C25H45O8N5Smiles:
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)C[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(N)=OAglycone:
CC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(N)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.84 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 543.66 | Num_heavy_atoms: | 38 |
| TPSA: | 217.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD23728
Formula: C19H35O4N5
Smiles:
CC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(N)=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 397.52 | Num_heavy_atoms: | 28 |
| TPSA: | 147.62 | NumAromaticRings: | 0 |
