Glycoside
GD023894
Name:
NoneFormula:
C39H49O23N3SSmiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(CCC(=O)NC(CSc1c(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)ccc(O)c1O)C(=O)NCC(=O)O)C(=O)OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.51 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 20 |
| MolWt: | 959.89 | Num_heavy_atoms: | 66 |
| TPSA: | 437.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD16023
Formula: C27H29O14N3S
Smiles:
NC(CCC(=O)NC(CSc1c(-c2oc3cc(OCCO)cc(O)c3c(=O)c2O)ccc(O)c1O)C(=O)NCC(=O)O)C(=O)O| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.3 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 15 |
| MolWt: | 651.6 | Num_heavy_atoms: | 45 |
| TPSA: | 299.41 | NumAromaticRings: | 3 |
