Glycoside
GD137960
Name:
Chimeramycin AFormula:
C48H82O14N2Smiles:
CCC1OC(=O)CC(OC(C)=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(OC(C)=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: | 16 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 911.18 | Num_heavy_atoms: | 64 |
| TPSA: | 192.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD55706
Formula: C33H55O8N
Smiles:
CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC(C)=CC1C| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 593.8 | Num_heavy_atoms: | 42 |
| TPSA: | 111.6 | NumAromaticRings: | 0 |
