Glycoside
GD147804
Name:
[3,4-dihydroxy-5-({13-hydroxy-7,14-dimethoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl}oxy)oxolan-2-yl]methyl acetateFormula:
C23H20O13Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(OC4OC(COC(C)=O)C(O)C4O)cc4c(=O)oc1c2c34Aglycone:
COC(C)=O.COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.4 | Num_heavy_atoms: | 36 |
| TPSA: | 184.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD09504
Formula: C16H10O8
Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 119.34 | NumAromaticRings: | 4 |
