Glycoside
GD015946
Name:
KATIMBORINEFormula:
C22H29O11NSmiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3cc(=O)n(C)c4ccccc34)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1c(=O)cc(O)c2ccccc21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 483.47 | Num_heavy_atoms: | 34 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD11532
Formula: C10H9O2N
Smiles:
Cn1c(=O)cc(O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 42.23 | NumAromaticRings: | 2 |
