Glycoside
GD002408
Name:
Actinosporin DFormula:
C31H32O12Smiles:
Cc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c2c3c(ccc2c1)C(=O)c1c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cccc1C3=OAglycone:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 596.59 | Num_heavy_atoms: | 43 |
| TPSA: | 192.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD02304
Formula: C19H12O4
Smiles:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)cccc1C3=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 304.3 | Num_heavy_atoms: | 23 |
| TPSA: | 74.6 | NumAromaticRings: | 3 |
