Glycoside
GD134138
Name:
NoneFormula:
C36H50O22N2Smiles:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(Oc4cc5c(cc4O)CC(C(=O)O)N5CC=C4CC(C(=O)O)NC(C(=O)O)C4)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)C1CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.69 |
| AlogP: | -5.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 862.79 | Num_heavy_atoms: | 60 |
| TPSA: | 384.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD54268
Formula: C18H20O8N2
Smiles:
O=C(O)C1CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.36 | Num_heavy_atoms: | 28 |
| TPSA: | 167.63 | NumAromaticRings: | 1 |
