Glycoside
GD153691
Name:
So_Uy_020.1Formula:
C30H26O17Smiles:
COc1cc2c(=O)oc3c(OC)c(OC4OC(CO)C(O)C(OC(=O)c5cc(O)c(O)c(O)c5)C4O)cc4c(=O)oc(c1OC)c2c34Aglycone:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.52 | Num_heavy_atoms: | 47 |
| TPSA: | 254.25 | NumAromaticRings: | 5 |
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 |
AD05280
Formula: C17H12O8
Smiles:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 108.34 | NumAromaticRings: | 4 |
