Glycoside
GD021695
Name:
NoneFormula:
C50H60O15N4Smiles:
O=C(Cc1ccccc1)NC[C@@H]1O[C@H](O[C@@H]2[C@H](NC(=O)Cc3ccccc3)C[C@H](NC(=O)Cc3ccccc3)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](NC(=O)Cc4ccccc4)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)Cc1ccccc1.NC(=O)Cc1ccccc1.O=C(Cc1ccccc1)NC1CC(NC(=O)Cc2ccccc2)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 18 |
| MolWt: | 957.04 | Num_heavy_atoms: | 69 |
| TPSA: | 294.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD00691
Formula: C8H9ON
Smiles:
NC(=O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
AD05850
Formula: C9H11ON
Smiles:
CNC(=O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD14784
Formula: C22H26O5N2
Smiles:
O=C(Cc1ccccc1)NC1CC(NC(=O)Cc2ccccc2)C(O)C(O)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.46 | Num_heavy_atoms: | 29 |
| TPSA: | 118.89 | NumAromaticRings: | 2 |
