Glycoside
GD141559
Name:
n-(5-{[4-({5-[(4z)-n,8-dihydroxynon-4-enamido]pentyl}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:
C39H72O13N6Smiles:
C=C(CCC(O)=NCCCCCN(O)C(=O)CCC=CCCC(C)O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCNCC1(O)OCC(O)C(O)C1OAglycone:
C=C(CCC(O)=NCCCCCN(O)C(=O)CCC=CCCC(C)O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCNCSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.79 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 33 |
| MolWt: | 833.03 | Num_heavy_atoms: | 58 |
| TPSA: | 292.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD57016
Formula: C34H64O8N6
Smiles:
C=C(CCC(O)=NCCCCCN(O)C(=O)CCC=CCCC(C)O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCNC| HBA: | 14 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 31 |
| MolWt: | 684.92 | Num_heavy_atoms: | 48 |
| TPSA: | 201.99 | NumAromaticRings: | 0 |
