Glycoside
GD123929
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-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C43H70O17Smiles:
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(CO)(CO)C4CCC3(C)C1(C)CC2OAglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(CO)(CO)C4CCC3(C)C1(C)CC2OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 859.02 | Num_heavy_atoms: | 60 |
| TPSA: | 285.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50041
Formula: C31H50O7
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(CO)(CO)C4CCC3(C)C1(C)CC2O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 534.73 | Num_heavy_atoms: | 38 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
