Glycoside
GD011134
Name:
NoneFormula:
C28H22O9N2Smiles:
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)[C@H](O)[C@H]1OC=OAglycone:
O=C1OC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OC=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.49 | Num_heavy_atoms: | 39 |
| TPSA: | 149.31 | NumAromaticRings: | 5 |
Unique Aglycone
AD08535
Formula: C20H10O3N2
Smiles:
O=C1OC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 326.31 | Num_heavy_atoms: | 25 |
| TPSA: | 74.95 | NumAromaticRings: | 5 |
