Glycoside
GD141784
Name:
NoneFormula:
C33H38O20N2Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(OC4OC(COC(=O)C5COC5=O)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc3CC2C(=O)O)CC(C(=O)O)N1Aglycone:
COC(=O)C1COC1=O.O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1Sugarmoiety:
OCC1(O)COC(OC2C(O)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -4.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 782.66 | Num_heavy_atoms: | 55 |
| TPSA: | 338.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD46344
Formula: C18H18O8N2
Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.35 | Num_heavy_atoms: | 28 |
| TPSA: | 167.63 | NumAromaticRings: | 1 |
AD50203
Formula: C5H6O4
Smiles:
COC(=O)C1COC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 130.1 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
