Glycoside
GD136287
Name:
18-Deoxo-18-Dihydro-AngolamycinFormula:
C46H79O16NSmiles:
CCC1CC(C)C(=O)C=CC2(C)OC2C(COC2OC(C)C(O)C(OC)C2OC)C(CC)OC(=O)CC(O)C(C)C1OC1CC(N(C)C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)O1Aglycone:
CCC1CC(C)C(=O)C=CC2(C)OC2C(CO)C(CC)OC(=O)CC(O)C(C)C1OC1CC(N(C)C)C(O)C(C)O1Sugarmoiety:
CC1OC(O)CC(C)(O)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 902.13 | Num_heavy_atoms: | 63 |
| TPSA: | 213.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD55085
Formula: C31H53O9N
Smiles:
CCC1CC(C)C(=O)C=CC2(C)OC2C(CO)C(CC)OC(=O)CC(O)C(C)C1OC1CC(N(C)C)C(O)C(C)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 583.76 | Num_heavy_atoms: | 41 |
| TPSA: | 138.29 | NumAromaticRings: | 0 |
