Glycoside
GD123435
Name:
methyl 10-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C43H70O16Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(C)(CO)C4CCC3(C)C1(C)CC2OAglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 843.02 | Num_heavy_atoms: | 59 |
| TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49811
Formula: C31H50O6
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 518.74 | Num_heavy_atoms: | 37 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
