Glycoside
GD156100
Name:
6-[({8a-[(acetyloxy)methyl]-8,9,10-trihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)methyl]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C38H60O13Smiles:
CC(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(OCC5OC(C(=O)O)C(O)C(O)C5O)CCC34C)C1CC(C)(C)C(O)C2OAglycone:
COC1CCC2(C)C(CCC3(C)C4CC(O)C5(COC(C)=O)C(CC(C)(C)C(O)C5O)C4=CCC32)C1(C)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.89 | Num_heavy_atoms: | 51 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD61846
Formula: C32H52O7
Smiles:
COC1CCC2(C)C(CCC3(C)C4CC(O)C5(COC(C)=O)C(CC(C)(C)C(O)C5O)C4=CCC32)C1(C)CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
