Glycoside
GD004265
Name:
NoneFormula:
C38H40O21Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](Oc3cc4oc(-c5ccc(O)c(O)c5)c(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(=O)c4c(O)c3OC)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 832.72 | Num_heavy_atoms: | 59 |
| TPSA: | 334.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
