Glycoside
GD144118
Name:
6-[1-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,9,16-trihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,â´.0âµ,¹â°.0¹â´,¹â¸]octadecan-15-yl)ethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-oneFormula:
C40H62O16Smiles:
CC1=C(C)C(=O)OC(C(C)C2C(O)CC3C4C5OC5C5(O)CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC(O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)C2C(O)CC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC32C)C1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 798.92 | Num_heavy_atoms: | 56 |
| TPSA: | 257.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD51714
Formula: C28H42O7
Smiles:
CC1=C(C)C(=O)OC(C(C)C2C(O)CC3C4C5OC5C5(O)CC(O)CC(O)C5(C)C4CCC32C)C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 119.75 | NumAromaticRings: | 0 |
