Glycoside
...
GD028254

Name:
None

Formula:
C63H111O11N5

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](Cn2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)OC)nn2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.COC(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nn1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 7 FractionCSP3: 0.83
AlogP: 11.3 Num_rotatable_bonds: 50
MolWt: 1114.61 Num_heavy_atoms: 79
TPSA: 234.82 NumAromaticRings: 2

Unique Aglycone
AD00325
Formula: C44H89O4N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC
HBA: 5 RingCount: 0
HBD: 4 FractionCSP3: 0.98
AlogP: 12.66 Num_rotatable_bonds: 41
MolWt: 696.2 Num_heavy_atoms: 49
TPSA: 89.79 NumAromaticRings: 0
AD18487
Formula: C14H16O3N4

Smiles:
COC(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nn1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.29
AlogP: 0.33 Num_rotatable_bonds: 5
MolWt: 288.31 Num_heavy_atoms: 21
TPSA: 86.11 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O