Glycoside
GD127613
Name:
N-[4,5-dihydroxy-2-({1-[(18-hydroxy-9-methyloctadecyl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]propan-2-yl}oxy)-6-(hydroxymethyl)oxan-3-yl]ethanimidic acidFormula:
C35H67O13NSmiles:
CC(O)=NC1C(OC(COCCCCCCCCC(C)CCCCCCCCCO)COC2OCC(O)C(O)C2O)OC(CO)C(O)C1OAglycone:
CC(CCCCCCCCCO)CCCCCCCCOCC(O)COSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 27 |
| MolWt: | 709.92 | Num_heavy_atoms: | 49 |
| TPSA: | 220.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD02040
Formula: C22H46O4
Smiles:
CC(CCCCCCCCCO)CCCCCCCCOCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 21 |
| MolWt: | 374.61 | Num_heavy_atoms: | 26 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
