Glycoside
GD031020
Name:
NoneFormula:
C20H23O12NSmiles:
O=C1N[C@@H]2C(=C[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3Aglycone:
O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(c(O)c21)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 469.4 | Num_heavy_atoms: | 33 |
| TPSA: | 207.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD18307
Formula: C14H13O7N
Smiles:
O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(c(O)c21)OCO3| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 307.26 | Num_heavy_atoms: | 22 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
