Glycoside
GD029927
Name:
NoneFormula:
C28H34O16Smiles:
COc1c(O)cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1OAglycone:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1OSugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD19412
Formula: C16H14O8
Smiles:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.28 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
