Glycoside
GD013452
Name:
ARANCIAMYCINFormula:
C27H28O12Smiles:
CO[C@H]1[C@H](O[C@@H]2c3c(cc4c(c3O)C(=O)c3c(O)cccc3C4=O)C(=O)[C@](C)(O)[C@@H]2OC)O[C@H](C)[C@H](O)[C@@H]1OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)C1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.51 | Num_heavy_atoms: | 39 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD01755
Formula: C20H16O8
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)C1(C)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.34 | Num_heavy_atoms: | 28 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
