Glycoside
GD008785
Name:
TRIOXACARCIN DFormula:
C40H50O19Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@]3(C(OC)OC)O[C@H]1[C@](O[C@@H]1C[C@H](O)[C@](O)(C(C)=O)[C@H](C)O1)(O4)[C@@]31CO1)C(=O)[C@H](O)C[C@H]2O[C@@H]1C[C@@](C)(O)[C@H](O)[C@H](C)O1Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2OSugarmoiety:
CC(=O)C1(O)C(O)CC(O)OC1C.CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 834.82 | Num_heavy_atoms: | 59 |
| TPSA: | 260.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD06962
Formula: C25H26O12
Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2O| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 165.9 | NumAromaticRings: | 2 |
