Glycoside
GD157013
Name:
NoneFormula:
C37H41O18NSmiles:
CC(C)CCc1cc(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1Aglycone:
CC(C)CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.43 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 787.72 | Num_heavy_atoms: | 56 |
| TPSA: | 319.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD62119
Formula: C25H25O6N
Smiles:
CC(C)CCc1cc(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)c[nH]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.48 | Num_heavy_atoms: | 32 |
| TPSA: | 126.92 | NumAromaticRings: | 4 |
