Glycoside
GD119895
Name:
NoneFormula:
C44H53O24Smiles:
COc1ccc(C=CC(=O)OC2C(C)OC(OCC3OC(OC4=Cc5c(cc(O)cc5OC5OC(C[OH2+])C(O)C(O)C5O)OC4c4cc(O)c(O)c(OC)c4)C(O)C(O)C3O)C(O)C2O)cc1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O.COc1ccc(C=CC(=O)O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.48 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 14 |
| MolWt: | 965.88 | Num_heavy_atoms: | 68 |
| TPSA: | 375.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD12114
Formula: C10H10O4
Smiles:
COc1ccc(C=CC(=O)O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45274
Formula: C16H14O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
