Glycoside
GD116397
Name:
Microluside AFormula:
C45H46O23Smiles:
O=C(OC1C(CO)OC(OC2C(CO)OC(Oc3cccc4c(=O)c5cccc(OC6OC(CO)C(O)C(O)C6OC(=O)c6ccc(O)cc6)c5oc34)C(O)C2O)C(O)C1O)c1ccc(O)cc1Aglycone:
O=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.O=c1c2cccc(O)c2oc2c(O)cccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.4 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 13 |
| MolWt: | 954.84 | Num_heavy_atoms: | 68 |
| TPSA: | 360.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD46212
Formula: C13H8O4
Smiles:
O=c1c2cccc(O)c2oc2c(O)cccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 228.2 | Num_heavy_atoms: | 17 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
