Glycoside
GD142598
Name:
2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl acetateFormula:
C44H72O15Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
CC(=O)OC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 841.05 | Num_heavy_atoms: | 59 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD04921
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
