Glycoside
GD123215
Name:
Cirramycin F1Formula:
C35H57O12NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CCC(O)C(C)O3)C(N)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CAglycone:
CC1OC(O)CCC1O.CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 683.84 | Num_heavy_atoms: | 48 |
| TPSA: | 196.6 | NumAromaticRings: | 0 |
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 |
AD06113
Formula: C23H36O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 113.43 | NumAromaticRings: | 0 |
