Glycoside
GD154065
Name:
3-(butan-2-yl)-5,8,9-trimethyl-16-(2-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-6-(propan-2-yl)-icosahydropyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,10,14,17-hexoneFormula:
C36H61O13N5Smiles:
CCC(C)C1N=C(O)C2CCCN2C(=O)C(CC(C)(C)OC2OC(CO)C(O)C(O)C2O)OC(=O)CCN=C(O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=OAglycone:
CCC(C)C1N=C(O)C2CCCN2C(=O)C(CC(C)(C)O)OC(=O)CCN=C(O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 771.91 | Num_heavy_atoms: | 54 |
| TPSA: | 251.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD61230
Formula: C30H51O8N5
Smiles:
CCC(C)C1N=C(O)C2CCCN2C(=O)C(CC(C)(C)O)OC(=O)CCN=C(O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 609.77 | Num_heavy_atoms: | 43 |
| TPSA: | 172.64 | NumAromaticRings: | 0 |
