Glycoside
GD141580
Name:
2-[(3,5-dihydroxy-2-{[8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-methyloxan-4-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C45H74O15Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5OC(C)=O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12Sugarmoiety:
CC(=O)OC1C(OC2C(O)C(C)OC(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 855.07 | Num_heavy_atoms: | 60 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01512
Formula: C31H52O5
Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.75 | Num_heavy_atoms: | 36 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
