Glycoside
GD117420
Name:
N-benzyl-N-[2,4-bis(benzyloxy)-6-[(benzyloxy)methyl]-5-{[4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-{[4,5-bis(benzyloxy)-3-hydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}oxan-3-yl]acetamideFormula:
C83H89O15NSmiles:
CC(=O)N(Cc1ccccc1)C1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2O)C1OCc1ccccc1Aglycone:
CC(=O)NCc1ccccc1.COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(OC2C(OC3C(O)OOC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 12 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 13.31 | Num_rotatable_bonds: | 33 |
| MolWt: | 1340.62 | Num_heavy_atoms: | 99 |
| TPSA: | 160.53 | NumAromaticRings: | 9 |
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 |
AD35507
Formula: C9H11ON
Smiles:
CC(=O)NCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
