Glycoside
GD035385
Name:
NoneFormula:
C84H135O25N19Smiles:
CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(N)=OAglycone:
CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 44 | RingCount: | 4 |
| HBD: | 28 | FractionCSP3: | 0.65 |
| AlogP: | -6.34 | Num_rotatable_bonds: | 55 |
| MolWt: | 1811.11 | Num_heavy_atoms: | 128 |
| TPSA: | 710.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD22388
Formula: C78H125O20N19
Smiles:
CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O| HBA: | 39 | RingCount: | 3 |
| HBD: | 25 | FractionCSP3: | 0.63 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 52 |
| MolWt: | 1648.97 | Num_heavy_atoms: | 117 |
| TPSA: | 631.82 | NumAromaticRings: | 2 |
