Glycoside
GD025614
Name:
NoneFormula:
C40H43O20NSmiles:
COc1cc(C=CC(=O)N2c3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5OC(=O)C=Cc5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]4O)c(O)cc3C[C@H]2C(=O)O)ccc1OAglycone:
COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.38 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 857.77 | Num_heavy_atoms: | 61 |
| TPSA: | 332.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD02472
Formula: C19H17O7N
Smiles:
COc1cc(C=CC(=O)N2c3cc(O)c(O)cc3CC2C(=O)O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.35 | Num_heavy_atoms: | 27 |
| TPSA: | 127.53 | NumAromaticRings: | 2 |
