Glycoside
GD032469
Name:
NoneFormula:
C61H78O18N2Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)N3CCC(CCCC4CCN(C(=O)CCCc5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(-c6cccc(CC(=O)O)c6)c5)CC4)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)N3CCC(CCCC4CCN(C(=O)CCCc5ccc(O)c(-c6cccc(CC(=O)O)c6)c5)CC4)CC3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 24 |
| MolWt: | 1127.29 | Num_heavy_atoms: | 81 |
| TPSA: | 313.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD20828
Formula: C49H58O8N2
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)N3CCC(CCCC4CCN(C(=O)CCCc5ccc(O)c(-c6cccc(CC(=O)O)c6)c5)CC4)CC3)ccc2O)c1| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 8.68 | Num_rotatable_bonds: | 18 |
| MolWt: | 803.01 | Num_heavy_atoms: | 59 |
| TPSA: | 155.68 | NumAromaticRings: | 4 |
