Glycoside
GD154333
Name:
methyl 2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6,9-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C33H46O17Smiles:
COC(=O)C1=CC(OC2OC(CO)C(O)C(O)C2O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 714.71 | Num_heavy_atoms: | 50 |
| TPSA: | 264.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD02098
Formula: C21H26O7
Smiles:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
