Glycoside
GD029089
Name:
NoneFormula:
C33H38O15Smiles:
COc1ccc(-c2oc3c(c(O)cc4oc(C(C)(C)O)cc43)c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(-c2oc3c(c(O)cc4oc(C(C)(C)O)cc43)c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 674.65 | Num_heavy_atoms: | 48 |
| TPSA: | 231.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD18962
Formula: C21H18O7
Smiles:
COc1ccc(-c2oc3c(c(O)cc4oc(C(C)(C)O)cc43)c(=O)c2O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.37 | Num_heavy_atoms: | 28 |
| TPSA: | 113.27 | NumAromaticRings: | 4 |
