Glycoside
GD133372
Name:
10-hydroxy-8,8-dimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,4aH,8H,9H,10H,10bH-pyrano[2,3-h]chromen-2-oneFormula:
C20H26O10Smiles:
CC1(C)OC2=C(C(O)C1OC1OC(CO)C(O)C(O)C1O)C1OC(=O)C=CC1C=C2Aglycone:
CC1(C)OC2=C(C(O)C1O)C1OC(=O)C=CC1C=C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53987
Formula: C14H16O5
Smiles:
CC1(C)OC2=C(C(O)C1O)C1OC(=O)C=CC1C=C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
