Glycoside
GD133325
Name:
1-[18-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-8-yl]-2-hydroxy-2-methylpropyl acetateFormula:
C42H68O15Smiles:
CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)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(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 234.29 | 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 |
