Glycoside
GD144025
Name:
respinomycin dFormula:
C51H72O22N2Smiles:
COC1C(OC2OC(C)C(O)C(C)(O)C2OC)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([NH+]([O-])O)C(OC5OC(C)C(O)C(C)(O)C5OC)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([NH+]([O-])O)C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1(C)O.COC1C(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 1065.13 | Num_heavy_atoms: | 75 |
| TPSA: | 328.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD57899
Formula: C35H44O14N2
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([NH+]([O-])O)C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)O| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 716.74 | Num_heavy_atoms: | 51 |
| TPSA: | 232.41 | NumAromaticRings: | 2 |
