Glycoside
GD131346
Name:
N-(1-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl)dodecanamideFormula:
C42H79O13NSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 32 |
| MolWt: | 806.09 | Num_heavy_atoms: | 56 |
| TPSA: | 231.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD44973
Formula: C30H59O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 8.84 | Num_rotatable_bonds: | 26 |
| MolWt: | 481.81 | Num_heavy_atoms: | 34 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
