Glycoside
GD138454
Name:
Tmc-151 AFormula:
C41H74O15Smiles:
CCC(C)CC(C)CC(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)CC(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: | 0.83 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 24 |
| MolWt: | 807.03 | Num_heavy_atoms: | 56 |
| TPSA: | 267.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD06935
Formula: C29H52O4
Smiles:
CCC(C)CC(C)CC(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: | 0.76 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 464.73 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
