Glycoside
GD142796
Name:
2-(2-carboxy-6-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-5,5,8a-trimethyl-decahydronaphthalen-1-yl)-6-oxooxane-4-carboxylic acidFormula:
C26H40O12Smiles:
CC1(C)C(OC2OC(C(O)CO)C(O)C2O)CCC2(C)C(C3CC(C(=O)O)CC(=O)O3)C(C(=O)O)CCC12Aglycone:
CC1(C)C(O)CCC2(C)C(C3CC(C(=O)O)CC(=O)O3)C(C(=O)O)CCC12Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD57458
Formula: C20H30O7
Smiles:
CC1(C)C(O)CCC2(C)C(C3CC(C(=O)O)CC(=O)O3)C(C(=O)O)CCC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
