Glycoside
GD157658
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[20'-(hydroxymethyl)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-16'-yl]methyl}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C41H66O12Smiles:
CC1CCC2(OC1)OC1CC3C4C(CO)C=C5CC(CC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4C(CO)C=C5CC(C)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD52310
Formula: C29H46O3
Smiles:
CC1CCC2(OC1)OC1CC3C4C(CO)C=C5CC(C)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
