Glycoside
GD156685
Name:
2-methoxy-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,â·.0¹¹,¹âµ]hexadeca-1,3(7),8-trien-12-oneFormula:
C29H34O14Smiles:
COc1cc(C2c3cc4c(c(OC)c3C(OC3OC(CO)C(O)C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1OCAglycone:
COc1cc(C2c3cc4c(c(OC)c3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 181.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD62016
Formula: C23H24O9
Smiles:
COc1cc(C2c3cc4c(c(OC)c3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.44 | Num_heavy_atoms: | 32 |
| TPSA: | 101.91 | NumAromaticRings: | 2 |
