Glycoside
GD124797
Name:
Ganefromycins BetaFormula:
C57H89O19NSmiles:
CC=CC=CC1OC(O)(C(COC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)O2)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)CAglycone:
CC=CC=CC1OC(O)(C(CO)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | 5.58 | Num_rotatable_bonds: | 25 |
| MolWt: | 1092.33 | Num_heavy_atoms: | 77 |
| TPSA: | 261.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD50437
Formula: C36H53O10N
Smiles:
CC=CC=CC1OC(O)(C(CO)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)C| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 16 |
| MolWt: | 659.82 | Num_heavy_atoms: | 47 |
| TPSA: | 178.5 | NumAromaticRings: | 0 |
