Glycoside
GD140038
Name:
6-(aminomethyl)-3,4,5-trihydroxy-2-{[3-hydroxy-2-(2-hydroxy-12-methyltridecanamido)-18-methylnonadec-4-en-1-yl]oxy}oxane-2-carboxylic acidFormula:
C41H78O10N2Smiles:
CC(C)CCCCCCCCCCCCC=CC(O)C(COC1(C(=O)O)OC(CN)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCC(C)CAglycone:
CC(C)CCCCCCCCCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCC(C)CSugarmoiety:
NCC1OC(O)(C(=O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 32 |
| MolWt: | 759.08 | Num_heavy_atoms: | 53 |
| TPSA: | 215.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD56462
Formula: C34H67O4N
Smiles:
CC(C)CCCCCCCCCCCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 9.09 | Num_rotatable_bonds: | 28 |
| MolWt: | 553.91 | Num_heavy_atoms: | 39 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
