Glycoside
GD152604
Name:
rifamycinoside aFormula:
C40H53O16NSmiles:
CC(=O)CC1OC(=O)c2c(OC3OC(C)C(O)C(O)C3O)c(C)c(O)c3c2C(=O)C=C(N=C(O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C1O)C3=OAglycone:
CC(=O)CC1OC(=O)c2c(O)c(C)c(O)c3c2C(=O)C=C(N=C(O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C1O)C3=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 803.86 | Num_heavy_atoms: | 57 |
| TPSA: | 290.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD60751
Formula: C34H43O12N
Smiles:
CC(=O)CC1OC(=O)c2c(O)c(C)c(O)c3c2C(=O)C=C(N=C(O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C1O)C3=O| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 657.71 | Num_heavy_atoms: | 47 |
| TPSA: | 231.48 | NumAromaticRings: | 1 |
