Glycoside
GD111175
Name:
NoneFormula:
C33H29O10N3Smiles:
CCOC(=O)c1cn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)nc1NAglycone:
CCOC(=O)c1c[nH]c(=O)nc1N.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 627.61 | Num_heavy_atoms: | 46 |
| TPSA: | 175.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 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)c1ccccc1| HBA: | 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 |
AD44697
Formula: C7H9O3N3
Smiles:
CCOC(=O)c1c[nH]c(=O)nc1N| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.17 | Num_heavy_atoms: | 13 |
| TPSA: | 98.07 | NumAromaticRings: | 1 |
