Glycoside
GD012633
Name:
NoneFormula:
C65H93O20N19Smiles:
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(N)=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(N)=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: | 26 | FractionCSP3: | 0.52 |
| AlogP: | -8.01 | Num_rotatable_bonds: | 40 |
| MolWt: | 1460.57 | Num_heavy_atoms: | 104 |
| TPSA: | 634.47 | NumAromaticRings: | 4 |
Unique Aglycone
AD09507
Formula: C59H83O15N19
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(N)=O)NC(=O)CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(N)=O| HBA: | 34 | RingCount: | 5 |
| HBD: | 23 | FractionCSP3: | 0.47 |
| AlogP: | -5.44 | Num_rotatable_bonds: | 38 |
| MolWt: | 1298.43 | Num_heavy_atoms: | 93 |
| TPSA: | 558.31 | NumAromaticRings: | 4 |
