Glycoside
GD017848
Name:
NoneFormula:
C33H32O11N2Smiles:
CC(=NNC(=O)c1ccccc1)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=OAglycone:
CC(=NNC(=O)c1ccccc1)C1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 632.62 | Num_heavy_atoms: | 46 |
| TPSA: | 215.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD12689
Formula: C27H22O8N2
Smiles:
CC(=NNC(=O)c1ccccc1)C1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.19 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.48 | Num_heavy_atoms: | 37 |
| TPSA: | 176.75 | NumAromaticRings: | 3 |
