Glycoside
GD126656
Name:
16-{[3-hydroxy-5-(hydroxymethyl)-2,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclohexyl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-6-oneFormula:
C41H64O15Smiles:
CC1OC(OC2C(CO)CC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(=O)C(C)C54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1C(=O)OC2CC3C4CC=C5CC(OC6CC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD51265
Formula: C29H44O7
Smiles:
CC1C(=O)OC2CC3C4CC=C5CC(OC6CC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C21| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
