Glycoside
GD148896
Name:
2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1â·,¹â°.0²,â·]pentadec-11-ene-13,15-dioneFormula:
C26H38O12Smiles:
CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(=O)C13C)C(O)C(C)CCC24OAglycone:
CC(CO)C1=CC(=O)C2(C)CC3(O)OC4(C(=O)C13C)C(O)C(C)CCC24OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD59562
Formula: C20H28O7
Smiles:
CC(CO)C1=CC(=O)C2(C)CC3(O)OC4(C(=O)C13C)C(O)C(C)CCC24O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.44 | Num_heavy_atoms: | 27 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
