Glycoside
GD121407
Name:
methyl 10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-docosahydropicene-4a-carboxylateFormula:
C43H72O17Smiles:
COC(=O)C12CCC(C)(C)CC1C1CCC3C4(C)CC(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(CO)(CO)C4CCC3(C)C1(C)CC2OAglycone:
COC(=O)C12CCC(C)(C)CC1C1CCC3C4(C)CC(O)C(O)C(CO)(CO)C4CCC3(C)C1(C)CC2OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 861.03 | Num_heavy_atoms: | 60 |
| TPSA: | 285.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD48869
Formula: C31H52O7
Smiles:
COC(=O)C12CCC(C)(C)CC1C1CCC3C4(C)CC(O)C(O)C(CO)(CO)C4CCC3(C)C1(C)CC2O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 536.75 | Num_heavy_atoms: | 38 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
