Glycoside
GD115939
Name:
6-({7,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C41H28O24Smiles:
COc1c(O)cc2c(=O)oc3c(O)c(OC4OCC(OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c5cc(O)c(O)c(O)c5)C4OC(=O)c4cc(O)c(O)c(O)c4)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.15 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 904.65 | Num_heavy_atoms: | 65 |
| TPSA: | 389.54 | NumAromaticRings: | 7 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD07122
Formula: C15H8O8
Smiles:
COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.22 | Num_heavy_atoms: | 23 |
| TPSA: | 130.34 | NumAromaticRings: | 4 |
