Glycoside
GD018914
Name:
3S-Hydrangenol 4'-O-Alpha-L-Rhamnopyranoysl-(1->3)-Beta-D-GlucopyranosideFormula:
C27H32O13Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](Oc3ccc([C@@H]4Cc5cccc(O)c5C(=O)O4)cc3)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1OC(c2ccc(O)cc2)Cc2cccc(O)c21Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD05021
Formula: C15H12O4
Smiles:
O=C1OC(c2ccc(O)cc2)Cc2cccc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
