Glycoside
GD031585
Name:
NoneFormula:
C35H40O24Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O)c4)oc4cc(OCC(=O)O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.51 |
| AlogP: | -4.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 844.68 | Num_heavy_atoms: | 59 |
| TPSA: | 391.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD18452
Formula: C17H12O9
Smiles:
O=C(O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.27 | Num_heavy_atoms: | 26 |
| TPSA: | 157.66 | NumAromaticRings: | 3 |
