Glycoside
GD119266
Name:
butyl 3,4,5-trihydroxy-6-{[10-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylateFormula:
C46H74O16Smiles:
CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)C(O)CC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)CO)C(O)C(O)C1OAglycone:
CC1C(O)CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1C.CCCCOC=OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 883.08 | Num_heavy_atoms: | 62 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD01542
Formula: C5H10O2
Smiles:
CCCCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47149
Formula: C30H48O5
Smiles:
CC1C(O)CC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
