Glycoside
GD002477
Name:
NoneFormula:
C21H21O12Smiles:
OC[C@@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 465.39 | Num_heavy_atoms: | 33 |
| TPSA: | 211.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD02363
Formula: C15H11O7
Smiles:
Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 303.25 | Num_heavy_atoms: | 22 |
| TPSA: | 132.68 | NumAromaticRings: | 3 |
