Glycoside
GD125549
Name:
Prionitiside BFormula:
C27H30O16Smiles:
CC1OC(OCC2OC(OC(=O)c3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c34)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)c1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD50779
Formula: C15H10O7
Smiles:
O=C(O)c1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
