Glycoside
GD154145
Name:
2-{[4a,8-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C36H58O9Smiles:
CC1OC(OC2CCC3(C)C4C=CC5=C6CC(C)(C)CCC6(CO)C(O)CC5(C)C4(C)CCC3(O)C2(C)CO)C(O)C(O)C1OAglycone:
CC1(C)CCC2(CO)C(=C3C=CC4C(C)(CCC5(O)C(C)(CO)C(O)CCC45C)C3(C)CC2O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD61261
Formula: C30H48O5
Smiles:
CC1(C)CCC2(CO)C(=C3C=CC4C(C)(CCC5(O)C(C)(CO)C(O)CCC45C)C3(C)CC2O)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
