Glycoside
GD151009
Name:
10-(2-decylcyclopropyl)-N-[12-(2-decylcyclopropyl)-1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbut-2-en-1-yl)oxy]oxan-2-yl]oxy}-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamideFormula:
C59H107O9NSmiles:
CCCCCCCCCCC1CC1CCCCC=CCCCC(O)C(COC1OC(CO)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(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 13.36 | Num_rotatable_bonds: | 45 |
| MolWt: | 974.5 | Num_heavy_atoms: | 69 |
| 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 |
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 |
