Glycoside
GD129277
Name:
2-[(12-hydroxy-4,4,6a,6b,9,10,11,12,14b-nonamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy]oxane-3,4,5-triolFormula:
C36H58O6Smiles:
CC1C2CCC3(C)C(=C2C(C)(O)C(C)C1C)C=CC1C2(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C2CCC13CAglycone:
CC1C2CCC3(C)C(=C2C(C)(O)C(C)C1C)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 586.85 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD52375
Formula: C31H50O2
Smiles:
CC1C2CCC3(C)C(=C2C(C)(O)C(C)C1C)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 454.74 | Num_heavy_atoms: | 33 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
