Glycoside
GD007518
Name:
Cirramycin A1Formula:
C31H51O10NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CAglycone:
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(C)C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 597.75 | Num_heavy_atoms: | 42 |
| TPSA: | 155.36 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
