Glycoside
GD016628
Name:
NoneFormula:
C27H34O8N2Smiles:
CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](Oc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1OAglycone:
CC(C)C(C)C(N)=O.NC1c2ccccc2CC1O.c1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 514.58 | Num_heavy_atoms: | 37 |
| TPSA: | 165.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD02890
Formula: C6H13ON
Smiles:
CC(C)C(C)C(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 115.18 | Num_heavy_atoms: | 8 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD02938
Formula: C6H6
Smiles:
c1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 78.11 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
