Glycoside
GD032807
Name:
NoneFormula:
C32H36O10N2Smiles:
C[C@H](Cc1ccc(O)cc1)C(=O)NC(=O)[C@@H](Oc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)NC(=O)[C@H](C)Cc1ccc(O)cc1Aglycone:
CC(Cc1ccc(O)cc1)C(N)=O.CC(Cc1ccc(O)cc1)C(N)=O.c1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 608.64 | Num_heavy_atoms: | 44 |
| TPSA: | 202.72 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD20992
Formula: C10H13O2N
Smiles:
CC(Cc1ccc(O)cc1)C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
