Glycoside
GD000830
Name:
RUTARINFormula:
C21H26O9Smiles:
CC[C@@H]1O[C@H](Oc2c3c(cc4ccc(=O)oc24)C[C@H](C(C)(C)O)O3)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 138.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00868
Formula: C14H14O5
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
