Glycoside
GD006510
Name:
Aranciamycin JFormula:
C26H26O11Smiles:
CO[C@@H]1[C@H](O[C@@H]2C[C@@](C)(O)C(=O)c3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@H](C)[C@H](O)[C@H]1OAglycone:
CC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 514.48 | Num_heavy_atoms: | 37 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD05381
Formula: C19H14O7
Smiles:
CC1(O)CC(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 354.31 | Num_heavy_atoms: | 26 |
| TPSA: | 132.13 | NumAromaticRings: | 2 |
