Glycoside
GD000390
Name:
NoneFormula:
C32H29O7N3SSmiles:
COc1ccc(-c2c(C(=O)Nc3ccccc3)c(-c3ccccc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1Aglycone:
COc1ccc(-c2c(C(=O)Nc3ccccc3)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 599.67 | Num_heavy_atoms: | 43 |
| TPSA: | 157.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD00441
Formula: C26H19O2N3S
Smiles:
COc1ccc(-c2c(C(=O)Nc3ccccc3)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.04 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 437.52 | Num_heavy_atoms: | 32 |
| TPSA: | 77.91 | NumAromaticRings: | 4 |
