Glycoside
GD026543
Name:
NoneFormula:
C39H58O12N4SSmiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C=NNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H]4C[C@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 806.98 | Num_heavy_atoms: | 56 |
| TPSA: | 248.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD17491
Formula: C33H48O8N4S
Smiles:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 660.83 | Num_heavy_atoms: | 46 |
| TPSA: | 189.81 | NumAromaticRings: | 0 |
