Glycoside
GD020514
Name:
NoneFormula:
C31H34O14N2Smiles:
C[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)N2CCOCC2)[C@H]1OC(=O)N1CCOCC1Aglycone:
O=C(O)N1CCOCC1.O=C(O)N1CCOCC1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 658.61 | Num_heavy_atoms: | 47 |
| TPSA: | 207.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD07916
Formula: C5H9O3N
Smiles:
O=C(O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 49.77 | NumAromaticRings: | 0 |
