Glycoside
GD032483
Name:
NoneFormula:
C59H59O8NSmiles:
COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc2)cc1Aglycone:
COCc1ccccc1.COc1ccc(N2C(=O)C(CCCc3ccccc3)C2c2ccc(O)cc2)cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 9 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 11.5 | Num_rotatable_bonds: | 22 |
| MolWt: | 910.12 | Num_heavy_atoms: | 68 |
| TPSA: | 84.92 | NumAromaticRings: | 7 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD01282
Formula: C25H25O3N
Smiles:
COc1ccc(N2C(=O)C(CCCc3ccccc3)C2c2ccc(O)cc2)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 387.48 | Num_heavy_atoms: | 29 |
| TPSA: | 49.77 | NumAromaticRings: | 3 |
