Glycoside
GD035647
Name:
NoneFormula:
C53H61O8N3Smiles:
CC1(C)COC(CCN[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@H]2OCc2ccccc2)OC1Aglycone:
CC1(C)COC(CCNC(Cc2c[nH]c3ccccc23)C(N)=O)OC1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 8.27 | Num_rotatable_bonds: | 21 |
| MolWt: | 868.08 | Num_heavy_atoms: | 64 |
| TPSA: | 121.53 | NumAromaticRings: | 6 |
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 |
AD08458
Formula: C19H27O3N3
Smiles:
CC1(C)COC(CCNC(Cc2c[nH]c3ccccc23)C(N)=O)OC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 345.44 | Num_heavy_atoms: | 25 |
| TPSA: | 89.37 | NumAromaticRings: | 2 |
