Glycoside
GD024290
Name:
NoneFormula:
C29H36O15Smiles:
COCO[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
COCOC1C(C)OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03294
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
