Glycoside
GD154297
Name:
9-(1,2-dihydroxyethyl)-11-hydroxy-2-(hydroxymethyl)-6-[(1H-imidazol-5-yl)methyl]-2,6a,6b,9,12a-pentamethyl-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:
C40H62O11N2Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 746.94 | Num_heavy_atoms: | 53 |
| TPSA: | 226.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD61304
Formula: C35H54O7N2
Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 614.82 | Num_heavy_atoms: | 44 |
| TPSA: | 167.13 | NumAromaticRings: | 1 |
