Glycoside
GD143953
Name:
10,12-dihydroxy-2,4a,6a,6b,9,12a-hexamethyl-9-{3-oxo-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]butyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acidFormula:
C39H62O10Smiles:
CC(=O)C(CC1(C)C(O)CC(O)C2(C)C1CCC1(C)C2CC=C2C3CC(C)(C(=O)O)CCC3(C)CCC21C)OC1OC(C)C(O)C(O)C1OAglycone:
CC(=O)C(O)CC1(C)C(O)CC(O)C2(C)C1CCC1(C)C2CC=C2C3CC(C)(C(=O)O)CCC3(C)CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 690.92 | Num_heavy_atoms: | 49 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57878
Formula: C33H52O6
Smiles:
CC(=O)C(O)CC1(C)C(O)CC(O)C2(C)C1CCC1(C)C2CC=C2C3CC(C)(C(=O)O)CCC3(C)CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.77 | Num_heavy_atoms: | 39 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
