Glycoside
GD129728
Name:
11-(benzyloxy)-12a-cyclohexyl-2,9-bis(hydroxymethyl)-2,6a,6b,9-tetramethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C47H70O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)CC(OCc6ccccc6)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)CC(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 6.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 795.07 | Num_heavy_atoms: | 57 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD52556
Formula: C42H62O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C6CCCCC6)CC(OCc6ccccc6)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 7.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.95 | Num_heavy_atoms: | 48 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
