Glycoside
GD156844
Name:
Tmc-171AFormula:
C41H72O15Smiles:
CCC(C)CC(C)C=C(C)C(OC1OC(CO)C(O)C(O)C1O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(=O)OC(C(O)CO)C(O)C(O)COAglycone:
CCC(C)CC(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=OSugarmoiety:
OCC(O)C(O)C(OO)C(O)CO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.78 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 23 |
| MolWt: | 805.01 | Num_heavy_atoms: | 56 |
| TPSA: | 267.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD49743
Formula: C29H50O4
Smiles:
CCC(C)CC(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 14 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
