Glycoside
GD032404
Name:
NoneFormula:
C26H26O12Smiles:
O=C(O)C=CC=Cc1ccc(O)c(O[C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)C=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.23 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 530.48 | Num_heavy_atoms: | 38 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD20784
Formula: C11H10O4
Smiles:
O=C(O)C=CC=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
