Glycoside
GD125673
Name:
3,13,14-trihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-oneFormula:
C21H18O12Smiles:
O=c1oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2c2oc3cc(O)c(O)cc3c12Aglycone:
O=c1oc2cc(O)cc(O)c2c2oc3cc(O)c(O)cc3c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.36 | Num_heavy_atoms: | 33 |
| TPSA: | 203.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD50834
Formula: C15H8O7
Smiles:
O=c1oc2cc(O)cc(O)c2c2oc3cc(O)c(O)cc3c12| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 300.22 | Num_heavy_atoms: | 22 |
| TPSA: | 124.27 | NumAromaticRings: | 4 |
