Glycoside
GD004064
Name:
NoneFormula:
C46H48O8N2Smiles:
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H](OCC=CC=Cc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCC=CC=Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
CC=CC=Cc1ccccc1.CC=CC=Cc1ccccc1.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 17 |
| MolWt: | 756.9 | Num_heavy_atoms: | 56 |
| TPSA: | 157.58 | NumAromaticRings: | 4 |
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 |
AD03605
Formula: C11H12
Smiles:
CC=CC=Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 144.22 | Num_heavy_atoms: | 11 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
