Glycoside
GD024446
Name:
NoneFormula:
C81H101O27N3Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)NCCCCC(CCCNC(=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)CNC(=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)NCCCCC(CCCNC(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)CNC(=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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 9 |
| HBD: | 18 | FractionCSP3: | 0.48 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 41 |
| MolWt: | 1548.69 | Num_heavy_atoms: | 111 |
| TPSA: | 497.34 | NumAromaticRings: | 6 |
Unique Aglycone
AD16317
Formula: C63H71O12N3
Smiles:
O=C(O)Cc1cccc(-c2cc(CCCC(=O)NCCCCC(CCCNC(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)CNC(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | 9.97 | Num_rotatable_bonds: | 32 |
| MolWt: | 1062.27 | Num_heavy_atoms: | 78 |
| TPSA: | 259.89 | NumAromaticRings: | 6 |
