Glycoside
GD114747
Name:
N-{1-[(4-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxyoctadecan-2-yl}-2-hydroxytetracosanamideFormula:
C54H105O15NSmiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(OC2OC(C(O)CO)C(O)C2O)C1O)C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC(O)C1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | 7.34 | Num_rotatable_bonds: | 46 |
| MolWt: | 1008.43 | Num_heavy_atoms: | 70 |
| TPSA: | 271.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD45255
Formula: C42H85O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.69 | Num_rotatable_bonds: | 39 |
| MolWt: | 684.14 | Num_heavy_atoms: | 48 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
