Glycoside
GD146272
Name:
AldecamycinFormula:
C33H56O9Smiles:
CCC=C(C)C(O)C(C)C(CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CCO)OC1OC(CO)C(O)C(O)C1OAglycone:
CCC=C(C)C(O)C(C)C(O)CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 596.8 | Num_heavy_atoms: | 42 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58667
Formula: C27H46O4
Smiles:
CCC=C(C)C(O)C(C)C(O)CC1C(C)=CC2CC(C)CC(C)C2C1(C)C(=O)CCO| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
