Glycoside
GD156476
Name:
10-(2-decylcyclopropyl)-N-[10-(2-decylcyclopropyl)-1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbut-2-en-1-yl)oxy]oxan-2-yl]oxy}-3-hydroxydecan-2-yl]-2-hydroxydec-5-enamideFormula:
C57H105O9NSmiles:
CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1OCC=C(C)C)C(O)CCCCCCCC1CC1CCCCCCCCCCAglycone:
CC(C)=CCO.CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(O)=NC(CO)C(O)CCCCCCCC1CC1CCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 12.8 | Num_rotatable_bonds: | 44 |
| MolWt: | 948.46 | Num_heavy_atoms: | 67 |
| TPSA: | 161.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD05247
Formula: C5H10O
Smiles:
CC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD50565
Formula: C46H87O4N
Smiles:
CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(O)=NC(CO)C(O)CCCCCCCC1CC1CCCCCCCCCC| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 12.99 | Num_rotatable_bonds: | 38 |
| MolWt: | 718.2 | Num_heavy_atoms: | 51 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
