Glycoside
GD013100
Name:
NoneFormula:
C50H60O18N2Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)NCCNC(=O)CCCc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)NCCNC(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 23 |
| MolWt: | 977.03 | Num_heavy_atoms: | 70 |
| TPSA: | 331.56 | NumAromaticRings: | 4 |
Unique Aglycone
AD09823
Formula: C38H40O8N2
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)NCCNC(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 17 |
| MolWt: | 652.74 | Num_heavy_atoms: | 48 |
| TPSA: | 173.26 | NumAromaticRings: | 4 |
