Glycoside
GD136404
Name:
2-({6-[(4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C42H70O10Smiles:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1CAglycone:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 735.01 | Num_heavy_atoms: | 52 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD55138
Formula: C30H50O
Smiles:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 426.73 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
