Glycoside
GD121771
Name:
13-{[3,4-dihydroxy-6-methyl-5-({3,4,5-trihydroxy-6-[({7,13,14-trihydroxy-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)methyl]oxan-2-yl}oxy)oxan-2-yl]oxy}-6,7,14-trihydroxy-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dioneFormula:
C40H30O24Smiles:
CC1OC(Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)C(O)C(O)C1OC1OC(COc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)C(O)C(O)C1OAglycone:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34.O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23Sugarmoiety:
CC1OOC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.3 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 894.66 | Num_heavy_atoms: | 64 |
| TPSA: | 389.52 | NumAromaticRings: | 8 |
Unique Aglycone
AD12288
Formula: C14H6O8
Smiles:
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 302.19 | Num_heavy_atoms: | 22 |
| TPSA: | 141.34 | NumAromaticRings: | 4 |
AD45685
Formula: C15H8O8
Smiles:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34| 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 |
