Glycoside
GD152409
Name:
[3,4,5-trihydroxy-6-({3,4,5,15-tetrahydroxy-8-oxo-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(18),2(7),3,5,10,12,14,16-octaen-17-yl}oxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C30H24O16Smiles:
O=C(OCC1OC(Oc2cc3c(oc(=O)c4cc(O)c(O)c(O)c43)c3cccc(O)c23)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.2 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 640.51 | Num_heavy_atoms: | 46 |
| TPSA: | 277.27 | NumAromaticRings: | 5 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD48003
Formula: C17H10O7
Smiles:
O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 326.26 | Num_heavy_atoms: | 24 |
| TPSA: | 131.36 | NumAromaticRings: | 4 |
