Glycoside
GD145557
Name:
[3,4,5-trihydroxy-6-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C35H42O15Smiles:
COc1cc(CC2COC(c3ccc(OC4OC(COC(=O)c5cc(OC)c(O)c(OC)c5)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 702.71 | Num_heavy_atoms: | 50 |
| TPSA: | 212.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD01249
Formula: C20H24O6
Smiles:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
