Glycoside
...
GD003452

Name:
None

Formula:
C38H70O8N10S2

Smiles:
CCCCCC(=O)O[C@H]1[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@@H](Cn2cc(CN(CCNC(=S)NCCN)CCNC(=S)NCCN)nn2)O[C@H]1OC

Aglycone:
CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.Cn1cc(CN(CCNC(=S)NCCN)CCNC(=S)NCCN)nn1

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 2
HBD: 8 FractionCSP3: 0.82
AlogP: 1.77 Num_rotatable_bonds: 30
MolWt: 859.17 Num_heavy_atoms: 58
TPSA: 231.47 NumAromaticRings: 1

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD03143
Formula: C14H30N10S2

Smiles:
Cn1cc(CN(CCNC(=S)NCCN)CCNC(=S)NCCN)nn1
HBA: 10 RingCount: 1
HBD: 8 FractionCSP3: 0.71
AlogP: -2.54 Num_rotatable_bonds: 12
MolWt: 402.6 Num_heavy_atoms: 26
TPSA: 134.11 NumAromaticRings: 1

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O