Glycoside
GD136405
Name:
(3R)-7,2'-Dihydroxy-3',4'-Dimethoxyisoflavan 7,2'-O-DiglucosideFormula:
C29H38O15Smiles:
COc1ccc(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3C2)c(OC2OC(CO)C(O)C(O)C2O)c1OCAglycone:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.61 | Num_heavy_atoms: | 44 |
| TPSA: | 226.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD42315
Formula: C17H18O5
Smiles:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
