Glycoside
GD136185
Name:
3-hydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl benzoateFormula:
C43H64O11Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(OC(=O)c3ccccc3)C2(CO)CC1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(OC(=O)c3ccccc3)C2(CO)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 756.97 | Num_heavy_atoms: | 54 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD45727
Formula: C37H54O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(OC(=O)c3ccccc3)C2(CO)CC1O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 594.83 | Num_heavy_atoms: | 43 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
