Glycoside
GD009671
Name:
16-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,â·.0¹¹,¹âµ]hexadeca-1(9),2,7-trien-12-oneFormula:
C34H42O18Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCAglycone:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 738.69 | Num_heavy_atoms: | 52 |
| TPSA: | 250.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD02190
Formula: C22H22O8
Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 92.68 | NumAromaticRings: | 2 |
