Glycoside
GD143165
Name:
(7-ethenyl-5,8a-dihydroxy-1,1,7-trimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrophenanthren-4a-yl)methyl 3-hydroxy-3-methylbutanoateFormula:
C31H52O11Smiles:
C=CC1(C)CC(O)C2C(O)(C1)C(OC1OC(CO)C(O)C(O)C1O)CC1C(C)(C)CCCC12COC(=O)CC(C)(C)OAglycone:
C=CC1(C)CC(O)C2C(O)(C1)C(O)CC1C(C)(C)CCCC12COC(=O)CC(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 600.75 | Num_heavy_atoms: | 42 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD57589
Formula: C25H42O6
Smiles:
C=CC1(C)CC(O)C2C(O)(C1)C(O)CC1C(C)(C)CCCC12COC(=O)CC(C)(C)O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.61 | Num_heavy_atoms: | 31 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
