Glycoside
GD125247
Name:
methyl 10-{[3,4-dimethoxy-6-(methoxymethyl)-5-{[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C50H84O13Smiles:
COCC1OC(OC2C(COC)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC)CCC45C)C3(C)C)C(OC)C2OC)C(OC)C(OC)C1OCAglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
COCC1OC(O)C(OC)C(OC)C1OC1OC(COC)C(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 7.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 893.21 | Num_heavy_atoms: | 63 |
| TPSA: | 127.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD03137
Formula: C31H50O3
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
