Glycoside
GD130420
Name:
2-{4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy}oxane-3,4,5-triolFormula:
C25H34O10Smiles:
COc1cc(CC(CO)C(COC2OCC(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1OAglycone:
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 494.54 | Num_heavy_atoms: | 35 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD11289
Formula: C20H26O6
Smiles:
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
