Glycoside
GD136300
Name:
2-(hydroxymethyl)-6-({3,8,10-trihydroxy-4,4,6a,6b,9,9,12a-heptamethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-docosahydropicen-2-yl}oxy)oxane-3,4,5-triolFormula:
C40H68O14Smiles:
CC1(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)CC2C1C(OC1OCC(O)C(O)C1O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CAglycone:
CC1(C)C(O)C(O)CC2C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 772.97 | Num_heavy_atoms: | 54 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD46745
Formula: C29H50O5
Smiles:
CC1(C)C(O)C(O)CC2C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.71 | Num_heavy_atoms: | 34 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
