Glycoside
GD126411
Name:
1-{10,11-dihydroxy-4,6,12,17,17-pentamethyl-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-methylprop-2-en-1-yl acetateFormula:
C37H58O10Smiles:
C=C(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC21CAglycone:
C=C(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD51146
Formula: C32H50O6
Smiles:
C=C(C)C(OC(C)=O)C1CC(C)C2C(O)(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
