Glycoside
GD127831
Name:
2-[(2-{[6-({2,22-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracosan-10-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]oxane-3,4,5-triolFormula:
C46H76O17Smiles:
CC1(C)CC(O)C23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C)CC(O)C23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 901.1 | Num_heavy_atoms: | 63 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49010
Formula: C30H50O4
Smiles:
CC1(C)CC(O)C23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
