Glycoside
GD119532
Name:
cytorhodin yFormula:
C48H68O16N2Smiles:
CCC1(OC2CC(N(C)C)C(O)C(C)O2)Cc2c(O)c3c(c(O)c2C(OC2CC(N(C)C)C(OC4CC(O)C(OC5CCC(O)C(C)O5)C(C)O4)C(C)O2)C1)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(OC2CC(N(C)C)C(O)C(C)O2)Cc2c(O)c3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)C1)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 929.07 | Num_heavy_atoms: | 66 |
| TPSA: | 235.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD47908
Formula: C36H48O11N2
Smiles:
CCC1(OC2CC(N(C)C)C(O)C(C)O2)Cc2c(O)c3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)C1)C(=O)c1cccc(O)c1C3=O| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 684.78 | Num_heavy_atoms: | 49 |
| TPSA: | 178.69 | NumAromaticRings: | 2 |
