Glycoside
...
GD000075

Name:
None

Formula:
C35H57O13N7

Smiles:
COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](NC(=O)CCOC[C@@H]1OC(OCCCNC(=O)[C@H](NC(=O)[C@H](C)N)C(C)C)[C@H](O)[C@H](O)[C@H]1O)C(C)C

Aglycone:
CC(N)C(=O)NC(C(=O)NCCCO)C(C)C.COCCC(=O)NC(C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC)C(C)C

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

Other Identifiers

Properties
HBA: 20 RingCount: 2
HBD: 11 FractionCSP3: 0.66
AlogP: -2.22 Num_rotatable_bonds: 20
MolWt: 783.88 Num_heavy_atoms: 55
TPSA: 298.23 NumAromaticRings: 1

Unique Aglycone
AD00099
Formula: C11H23O3N3

Smiles:
CC(N)C(=O)NC(C(=O)NCCCO)C(C)C
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.82
AlogP: -1.03 Num_rotatable_bonds: 7
MolWt: 245.32 Num_heavy_atoms: 17
TPSA: 104.45 NumAromaticRings: 0
AD00100
Formula: C19H28O6N4

Smiles:
COCCC(=O)NC(C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC)C(C)C
HBA: 10 RingCount: 1
HBD: 4 FractionCSP3: 0.47
AlogP: 0.59 Num_rotatable_bonds: 9
MolWt: 408.46 Num_heavy_atoms: 29
TPSA: 134.86 NumAromaticRings: 1

Sugarmoiety
SD00017

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