Glycoside
GD150932
Name:
10-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C40H64O13Smiles:
CC1C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C2O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(O)CC3(C(=O)O)CCC21CAglycone:
CC1C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(O)CC3(C(=O)O)CCC21CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD60243
Formula: C29H46O4
Smiles:
CC1C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(O)CC3(C(=O)O)CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
