Glycoside
GD127979
Name:
4,5,17-trihydroxy-6,14,18-trimethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,â·.0â´,¹â¹.0¹³,¹â¸]nonadec-14-en-9-oneFormula:
C26H38O12Smiles:
CC1=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C4(O)OCC13C42Aglycone:
CC1=CC(O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C4(O)OCC13C42Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51844
Formula: C20H28O7
Smiles:
CC1=CC(O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C4(O)OCC13C42| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 380.44 | Num_heavy_atoms: | 27 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
