Glycoside
GD003176
Name:
ERUBERIN BFormula:
C30H40O15Smiles:
COc1ccc([C@@H]2C[C@H](O)c3c(c(C)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(C)c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)cc1Aglycone:
COc1ccc(C2CC(O)c3c(O)c(C)c(O)c(C)c3O2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.64 | Num_heavy_atoms: | 45 |
| TPSA: | 237.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD02908
Formula: C18H20O5
Smiles:
COc1ccc(C2CC(O)c3c(O)c(C)c(O)c(C)c3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
