Glycoside
...
GD018038

Name:
None

Formula:
C36H60O13N8

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

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

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

Other Identifiers

Properties
HBA: 21 RingCount: 2
HBD: 13 FractionCSP3: 0.67
AlogP: -2.75 Num_rotatable_bonds: 23
MolWt: 812.92 Num_heavy_atoms: 57
TPSA: 324.25 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
AD03442
Formula: C20H31O6N5

Smiles:
COCCC(=O)NC(CCCCN)C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC
HBA: 11 RingCount: 1
HBD: 6 FractionCSP3: 0.5
AlogP: 0.06 Num_rotatable_bonds: 12
MolWt: 437.5 Num_heavy_atoms: 31
TPSA: 160.88 NumAromaticRings: 1

Sugarmoiety
SD00017

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