Glycoside
GD010205
Name:
NoneFormula:
C65H92O21N18Smiles:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=OAglycone:
CC(C)CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCC(=O)O)NC(=O)CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 6 |
| HBD: | 25 | FractionCSP3: | 0.52 |
| AlogP: | -7.41 | Num_rotatable_bonds: | 40 |
| MolWt: | 1461.56 | Num_heavy_atoms: | 104 |
| TPSA: | 628.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD07924
Formula: C59H82O16N18
Smiles:
CC(C)CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCC(=O)O)NC(=O)CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O| HBA: | 34 | RingCount: | 5 |
| HBD: | 22 | FractionCSP3: | 0.47 |
| AlogP: | -4.84 | Num_rotatable_bonds: | 38 |
| MolWt: | 1299.42 | Num_heavy_atoms: | 93 |
| TPSA: | 552.52 | NumAromaticRings: | 4 |
