Glycoside
GD157883
Name:
3-{2-[2-(6-{[6-(acetamidomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-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(OC4OC(CN=C(C)O)C(O)C(O)C4O)CCC23C)C1(C)CCC(=O)OAglycone:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(O)CCC23C)C1(C)CCC(=O)O.CN=C(C)OSugarmoiety:
OC1OC(O)C(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
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD48467
Formula: C30H48O3
Smiles:
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(O)CCC23C)C1(C)CCC(=O)O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
