Glycoside
GD136963
Name:
methyl 2-(furan-3-yl)-10b-methyl-4-oxo-6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,8H,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C34H42O15Smiles:
COC(=O)C1=C2C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)CC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1Aglycone:
COC(=O)C1=C2C(O)CC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 690.7 | Num_heavy_atoms: | 49 |
| TPSA: | 189.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD55350
Formula: C20H24O6
Smiles:
COC(=O)C1=C2C(O)CC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
