Glycoside
GD121440
Name:
2-[(4-hydroxy-5-{[8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2,5-bis(hydroxymethyl)oxolan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H72O14Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(OC4(CO)OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 813.04 | Num_heavy_atoms: | 57 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD16277
Formula: C31H52O4
Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
