Glycoside
GD114267
Name:
2-(hydroxymethyl)-6-(5,7',13'-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-3,16'-dioloxy)oxane-3,4,5-triolFormula:
C38H62O16Smiles:
CC1COC2(OC3CC4C(CCC5C4CC(OC4OC(CO)C(O)C(O)C4O)C4CC(O)CCC45C)C3C2C)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1COC2(OC3CC4C(CCC5C4CC(O)C4CC(O)CCC45C)C3C2C)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 774.9 | Num_heavy_atoms: | 54 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD44945
Formula: C26H42O6
Smiles:
CC1COC2(OC3CC4C(CCC5C4CC(O)C4CC(O)CCC45C)C3C2C)C(O)C1O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 450.62 | Num_heavy_atoms: | 32 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
