Glycoside
GD157208
Name:
10-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-2-yl acetateFormula:
C44H70O14Smiles:
CC(=O)OC1CC2(C)C3(C)CCC4C(C)(CO)C(OC5OC(C)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC4(C)C3C=CC23OCC12CCC(C)(C)CC23Aglycone:
CC(=O)OC1CC2(C)C3(C)CCC4C(C)(CO)C(O)CCC4(C)C3C=CC23OCC12CCC(C)(C)CC23Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 823.03 | Num_heavy_atoms: | 58 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD60328
Formula: C32H50O5
Smiles:
CC(=O)OC1CC2(C)C3(C)CCC4C(C)(CO)C(O)CCC4(C)C3C=CC23OCC12CCC(C)(C)CC23| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
