Glycoside
GD028878
Name:
2-(hydroxymethyl)-8,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,6H,7H,8H-pyrano[3,2-g]chromen-4-oneFormula:
C21H26O10Smiles:
CC1(C)Oc2cc3oc(CO)cc(=O)c3cc2C[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)Oc2cc3oc(CO)cc(=O)c3cc2CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD18829
Formula: C15H16O5
Smiles:
CC1(C)Oc2cc3oc(CO)cc(=O)c3cc2CC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
