Glycoside
GD125055
Name:
10-(2-decylcyclopropyl)-N-[10-(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-hydroxydecan-2-yl]-2-hydroxydec-5-enamideFormula:
C63H115O14NSmiles:
CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(O)=NC(COC1OC(COC2OC(CO)C(O)C(O)C2O)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(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 10.63 | Num_rotatable_bonds: | 47 |
| MolWt: | 1110.61 | Num_heavy_atoms: | 78 |
| 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 |
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 |
