Glycoside
GD137762
Name:
10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4a-(methoxycarbonyl)-2,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acidFormula:
C43H68O14Smiles:
COC(=O)C12CCC(C)(C(=O)O)CC1C1=CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2Aglycone:
COC(=O)C12CCC(C)(C(=O)O)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 809.0 | Num_heavy_atoms: | 57 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45089
Formula: C31H48O5
Smiles:
COC(=O)C12CCC(C)(C(=O)O)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
