Glycoside

GD113206
Name:
NoneFormula:
C42H32O10N2Smiles:
O=C(OC[C@H]1O[C@@H](c2nnc(-c3ccccc3)o2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.c1ccc(-c2nnco2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 0 | FractionCSP3: | 0.14 |
AlogP: | 6.71 | Num_rotatable_bonds: | 11 |
MolWt: | 724.72 | Num_heavy_atoms: | 54 |
TPSA: | 153.35 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
MolWt: | 122.12 | Num_heavy_atoms: | 9 |
TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.12 |
AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
MolWt: | 136.15 | Num_heavy_atoms: | 10 |
TPSA: | 26.3 | NumAromaticRings: | 1 |
AD05759
Formula: C8H6ON2
Smiles:
c1ccc(-c2nnco2)cc1HBA: | 3 | RingCount: | 2 |
HBD: | 0 | FractionCSP3: | 0.0 |
AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
MolWt: | 146.15 | Num_heavy_atoms: | 11 |
TPSA: | 38.92 | NumAromaticRings: | 2 |