Glycoside
GD139407
Name:
2-hydroxy-1-(10-hydroxy-4,6,12,17,17-pentamethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-8-yl)-2-methylpropyl acetateFormula:
C43H70O16Smiles:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(OC1OC(CO)C(O)C(O)C1O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21C)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 843.02 | Num_heavy_atoms: | 59 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD19071
Formula: C32H52O7
Smiles:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
