Glycoside
GD037509
Name:
NoneFormula:
C49H73O17N5SSmiles:
CCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@H](CS(=O)(=O)O)C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(O)c(c2)-c2cc1cc(O)c2O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)NCCC(=O)NC(CS(=O)(=O)O)C(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(O)c(c2)-c2cc1cc(O)c2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.63 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 25 |
| MolWt: | 1036.21 | Num_heavy_atoms: | 72 |
| TPSA: | 347.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD23621
Formula: C43H63O13N5S
Smiles:
CCCCCCCCCCCCCCCC(=O)NCCC(=O)NC(CS(=O)(=O)O)C(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(O)c(c2)-c2cc1cc(O)c2O| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 23 |
| MolWt: | 890.07 | Num_heavy_atoms: | 62 |
| TPSA: | 289.07 | NumAromaticRings: | 2 |
