Glycoside
GD125977
Name:
16'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,3'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-6-oneFormula:
C39H60O15Smiles:
CC1CC(O)C2(OC1=O)OC1C(O)C3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CC(O)C2(OC1=O)OC1C(O)C3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.89 | Num_heavy_atoms: | 54 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD50955
Formula: C27H40O6
Smiles:
CC1CC(O)C2(OC1=O)OC1C(O)C3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.61 | Num_heavy_atoms: | 33 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
