Glycoside
GD124472
Name:
2-(3-hydroxy-5-{3-hydroxy-2,2-dimethyl-2H,3H,4H,6H,7H,8H-indeno[5,6-b]pyran-7-yl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O9Smiles:
CC1(C)Oc2cc3c(cc2CC1O)CC(c1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1)C3Aglycone:
CC1(C)Oc2cc3c(cc2CC1O)CC(c1cc(O)cc(O)c1)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.53 | Num_heavy_atoms: | 35 |
| TPSA: | 149.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD50282
Formula: C20H22O4
Smiles:
CC1(C)Oc2cc3c(cc2CC1O)CC(c1cc(O)cc(O)c1)C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 326.39 | Num_heavy_atoms: | 24 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
