Glycoside
GD152279
Name:
Chimeramycin BFormula:
C46H80O13N2Smiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC(C)=CC1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC(C)=CC1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 869.15 | Num_heavy_atoms: | 61 |
| TPSA: | 186.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD60648
Formula: C31H53O7N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC(C)=CC1C| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 551.77 | Num_heavy_atoms: | 39 |
| TPSA: | 105.53 | NumAromaticRings: | 0 |
