Glycoside
GD146003
Name:
efomycin aFormula:
C55H90O18Smiles:
CCC1C(C)OC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(OC4CC(OC)C(O)C(C)O4)C(CC)C(C)O3)OC(=O)C=CC=CC2C)CC1OC1CC(O)C(O)C(C)O1Aglycone:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(O)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1CSugarmoiety:
CC1OC(O)CC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 1039.31 | Num_heavy_atoms: | 73 |
| TPSA: | 258.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD09004
Formula: C42H68O12
Smiles:
CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(O)C(CC)C(C)O3)OC(=O)C=CC=CC2C)OC1C| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 764.99 | Num_heavy_atoms: | 54 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
