Glycoside
GD146978
Name:
n-[5-({4-[(5-acetamidopentyl)carbamoyl]but-1-en-2-yl}(hydroxy)amino)pentyl]-n'-hydroxy-n'-[5-({[(3s,4r,5r)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)pentyl]butanediamideFormula:
C32H60O11N6Smiles:
C=C(CCC(O)=NCCCCCN=C(C)O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCNCC1(O)OCC(O)C(O)C1OAglycone:
C=C(CCC(O)=NCCCCCN=C(C)O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCNCSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 27 |
| MolWt: | 704.86 | Num_heavy_atoms: | 49 |
| TPSA: | 263.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD58884
Formula: C27H52O6N6
Smiles:
C=C(CCC(O)=NCCCCCN=C(C)O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCNC| HBA: | 12 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 25 |
| MolWt: | 556.75 | Num_heavy_atoms: | 39 |
| TPSA: | 173.81 | NumAromaticRings: | 0 |
