Glycoside
GD151503
Name:
rifamycinoside bFormula:
C40H53O15NSmiles:
CC1=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C2CCC(C)(OC(=O)c3c(OC4OC(C)C(O)C(O)C4O)c(C)c(O)c4c3C(=O)C=C(N=C1O)C4=O)O2Aglycone:
CC1=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C2CCC(C)(OC(=O)c3c(O)c(C)c(O)c4c3C(=O)C=C(N=C1O)C4=O)O2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 787.86 | Num_heavy_atoms: | 56 |
| TPSA: | 262.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD60415
Formula: C34H43O11N
Smiles:
CC1=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C2CCC(C)(OC(=O)c3c(O)c(C)c(O)c4c3C(=O)C=C(N=C1O)C4=O)O2| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 641.71 | Num_heavy_atoms: | 46 |
| TPSA: | 203.41 | NumAromaticRings: | 1 |
