Glycoside
GD141636
Name:
5,14-dihydroxy-3-{[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:
C21H18O11Smiles:
O=c1oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2c2oc3cc(O)ccc3c12Aglycone:
O=c1oc2cc(O)cc(O)c2c2oc3cc(O)ccc3c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.36 | Num_heavy_atoms: | 32 |
| TPSA: | 183.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD57047
Formula: C15H8O6
Smiles:
O=c1oc2cc(O)cc(O)c2c2oc3cc(O)ccc3c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.22 | Num_heavy_atoms: | 21 |
| TPSA: | 104.04 | NumAromaticRings: | 4 |
