Glycoside
...
GD026212

Name:
None

Formula:
C52H77O13N9

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O)C(C)C)C(=O)OCc1ccccn1

Aglycone:
CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(N)=O)C(C)C)C(=O)OCc1ccccn1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 10 FractionCSP3: 0.62
AlogP: 0.7 Num_rotatable_bonds: 25
MolWt: 1036.24 Num_heavy_atoms: 74
TPSA: 318.2 NumAromaticRings: 3

Unique Aglycone
AD17298
Formula: C46H67O8N9

Smiles:
CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(N)=O)C(C)C)C(=O)OCc1ccccn1
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.57
AlogP: 3.27 Num_rotatable_bonds: 23
MolWt: 874.1 Num_heavy_atoms: 63
TPSA: 242.04 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O