Glycoside
GD014931
Name:
NoneFormula:
C52H62O18N2Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)N3CCN(C(=O)CCCc4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)N3CCN(C(=O)CCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 20 |
| MolWt: | 1003.06 | Num_heavy_atoms: | 72 |
| TPSA: | 313.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD10926
Formula: C40H42O8N2
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)N3CCN(C(=O)CCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)CC3)ccc2O)c1| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 678.78 | Num_heavy_atoms: | 50 |
| TPSA: | 155.68 | NumAromaticRings: | 4 |
