Glycoside
GD125555
Name:
2-{[1,1,4a-trimethyl-5-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl)-6-methylidene-decahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O12Smiles:
C=C1CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C1CCC(C)=CCOC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 630.77 | Num_heavy_atoms: | 44 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD50784
Formula: C20H34O2
Smiles:
C=C1CCC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCO| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
