Glycoside
GD158073
Name:
[2-(4-hydroxy-3-methoxyphenyl)-4-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-3-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C33H38O15Smiles:
COc1cc(C2OCC(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2COC(=O)c2cc(O)c(O)c(O)c2)ccc1OAglycone:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2COC(=O)c2cc(O)c(O)c(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 674.65 | Num_heavy_atoms: | 48 |
| TPSA: | 234.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD62420
Formula: C27H28O10
Smiles:
COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2COC(=O)c2cc(O)c(O)c(O)c2)ccc1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 512.51 | Num_heavy_atoms: | 37 |
| TPSA: | 155.14 | NumAromaticRings: | 3 |
