Glycoside
GD141640
Name:
8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[1-(5-oxooxolan-2-yl)ethyl]-23-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-oneFormula:
C61H104O22Smiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C2CCC(=O)O2)OC1=OAglycone:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C2CCC(=O)O2)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.8 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 1189.48 | Num_heavy_atoms: | 83 |
| TPSA: | 394.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD57048
Formula: C55H94O17
Smiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C2CCC(=O)O2)OC1=O| HBA: | 17 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.78 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 1027.34 | Num_heavy_atoms: | 72 |
| TPSA: | 315.59 | NumAromaticRings: | 0 |
