Glycoside
GD158224
Name:
10-(2H-1,3-benzodioxol-5-yl)-16-[(3-hydroxy-4,5-dimethoxyoxan-2-yl)oxy]-4,6,13-trioxatetracyclo[7.7.0.0³,â·.0¹¹,¹âµ]hexadeca-1,3(7),8,10,15-pentaen-12-oneFormula:
C27H24O11Smiles:
COC1COC(Oc2c3c(c(-c4ccc5c(c4)OCO5)c4cc5c(cc24)OCO5)C(=O)OC3)C(O)C1OCAglycone:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1cc3c(cc1c2O)OCO3Sugarmoiety:
COC1COC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.48 | Num_heavy_atoms: | 38 |
| TPSA: | 120.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD56645
Formula: C20H12O7
Smiles:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1cc3c(cc1c2O)OCO3| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.31 | Num_heavy_atoms: | 27 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
