Glycoside
GD158175
Name:
2-(hydroxymethyl)-10-({3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl}oxy)-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 4-hydroxybenzoateFormula:
C29H30O14Smiles:
O=C(OCC1OC(OC2OC=CC3C(OC(=O)c4ccc(O)cc4)C4OC4(CO)C23)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.O=C(OC1C2C=COC(O)C2C2(CO)OC12)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 214.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD21250
Formula: C16H16O7
Smiles:
O=C(OC1C2C=COC(O)C2C2(CO)OC12)c1ccc(O)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
