Glycoside
GD124551
Name:
10-(2-decylcyclopropyl)-N-[12-(2-decylcyclopropyl)-1-({4,5-dihydroxy-3-[(3-methylbut-2-en-1-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl}oxy)-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamideFormula:
C65H117O14NSmiles:
CCCCCCCCCCC1CC1CCCCC=CCCCC(O)C(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OCC=C(C)C)N=C(O)C(O)CCC=CCCCCC1CC1CCCCCCCCCCAglycone:
CC(C)=CCO.CCCCCCCCCCC1CC1CCCCC=CCCCC(O)C(CO)N=C(O)C(O)CCC=CCCCCC1CC1CCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 11.18 | Num_rotatable_bonds: | 48 |
| MolWt: | 1136.64 | Num_heavy_atoms: | 80 |
| TPSA: | 240.58 | 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 |
AD50324
Formula: C48H89O4N
Smiles:
CCCCCCCCCCC1CC1CCCCC=CCCCC(O)C(CO)N=C(O)C(O)CCC=CCCCCC1CC1CCCCCCCCCC| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 13.54 | Num_rotatable_bonds: | 39 |
| MolWt: | 744.24 | Num_heavy_atoms: | 53 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
