Glycoside
GD141906
Name:
3-[2-(2-{6-[(5-acetamido-3,4,6-trihydroxyoxan-2-yl)methoxy]-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acidFormula:
C38H61O8NSmiles:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OCC4OC(O)C(N=C(C)O)C(O)C4O)CCC23C)C1(C)CCC(=O)OAglycone:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OC)CCC23C)C1(C)CCC(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 659.9 | Num_heavy_atoms: | 47 |
| TPSA: | 149.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD57131
Formula: C31H50O3
Smiles:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OC)CCC23C)C1(C)CCC(=O)O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 8.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
