Glycoside
GD117044
Name:
Chattamycin BFormula:
C53H76O24Smiles:
COC1CC(OC2CC(OC3C(O)CC(OC4CC(c5ccc6c(c5O)C(=O)C5C(O)C(OC(C)=O)C7(O)CC(C)=CC(OC8CC(OC)C(O)C(C)O8)C7(O)C5C6=O)OC(C)C4O)OC3C)OC(C)C2O)OC(C)C1OAglycone:
CC(=O)OC1C(O)C2C(=O)c3c(ccc(C4CC(O)C(O)C(C)O4)c3O)C(=O)C2C2(O)C(O)C=C(C)CC12OSugarmoiety:
COC1CC(O)OC(C)C1O.COC1CC(OC2CC(OC3C(O)CC(O)OC3C)OC(C)C2O)OC(C)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 1097.17 | Num_heavy_atoms: | 77 |
| TPSA: | 344.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD46599
Formula: C27H32O12
Smiles:
CC(=O)OC1C(O)C2C(=O)c3c(ccc(C4CC(O)C(O)C(C)O4)c3O)C(=O)C2C2(O)C(O)C=C(C)CC12O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 211.28 | NumAromaticRings: | 1 |
