Glycoside
GD149761
Name:
[6-({14-[5-(acetyloxy)-2,6,6-trimethyloxan-2-yl]-9,13-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]methyl acetateFormula:
C46H74O16Smiles:
CC(=O)OCC1OC(OC2CCC34CC35CCC3(C)CC(C6(C)CCC(OC(C)=O)C(C)(C)O6)C(O)C3(C)C5CC(O)C4C2(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC(=O)OC1CCC(C)(C2CC3(C)CCC45CC46CCC(O)C(C)(C)C6C(O)CC5C3(C)C2O)OC1(C)C.COC(C)=OSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 883.08 | Num_heavy_atoms: | 62 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD59870
Formula: C32H52O6
Smiles:
CC(=O)OC1CCC(C)(C2CC3(C)CCC45CC46CCC(O)C(C)(C)C6C(O)CC5C3(C)C2O)OC1(C)C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
