Glycoside
GD135407
Name:
Concanamycin DFormula:
C44H72O13Smiles:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)C(O)C(C)CC(C)=CC=CC2OC)CC(OC2CC(O)C(O)C(C)O2)C1CAglycone:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 809.05 | Num_heavy_atoms: | 57 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD01281
Formula: C38H62O10
Smiles:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.9 | Num_heavy_atoms: | 48 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
