Glycoside
GD003153
Name:
Actinosporin CFormula:
C31H32O13Smiles:
Cc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c2c3c(c(O)cc2c1)C(=O)c1c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cccc1C3=OAglycone:
Cc1cc(O)c2c3c(c(O)cc2c1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 612.58 | Num_heavy_atoms: | 44 |
| TPSA: | 212.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD01660
Formula: C19H12O5
Smiles:
Cc1cc(O)c2c3c(c(O)cc2c1)C(=O)c1c(O)cccc1C3=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 320.3 | Num_heavy_atoms: | 24 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
