Glycoside
GD155368
Name:
2-amino-4-{7-hydroxy-2,4b,8,8,10a-pentamethyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl}butanoic acidFormula:
C29H49O8NSmiles:
CC1=CCC2C(C)(CCC3C(C)(C)C(O)C(OC4OC(C)C(O)C(O)C4O)CC32C)C1CCC(N)C(=O)OAglycone:
CC1=CCC2C(C)(CCC3C(C)(C)C(O)C(O)CC32C)C1CCC(N)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 539.71 | Num_heavy_atoms: | 38 |
| TPSA: | 162.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD59647
Formula: C23H39O4N
Smiles:
CC1=CCC2C(C)(CCC3C(C)(C)C(O)C(O)CC32C)C1CCC(N)C(=O)O| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.57 | Num_heavy_atoms: | 28 |
| TPSA: | 103.78 | NumAromaticRings: | 0 |
