Glycoside
GD131136
Name:
Actinosporin BFormula:
C25H26O11Smiles:
CC1OC(Oc2cccc3c2C(=O)c2ccc4c(c2C3=O)C(O)C(O)C(O)(CO)C4)C(O)C(O)C1OAglycone:
O=C1c2ccc3c(c2C(=O)c2cccc(O)c21)C(O)C(O)C(O)(CO)C3Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.47 | Num_heavy_atoms: | 36 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD53136
Formula: C19H16O7
Smiles:
O=C1c2ccc3c(c2C(=O)c2cccc(O)c21)C(O)C(O)C(O)(CO)C3| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 356.33 | Num_heavy_atoms: | 26 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
