Glycoside
...
GD129325

Name:
None

Formula:
C43H65O14N4S2

Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCCC4CSSCC(CO)N4C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC3C2C=C2CCCCC2)C4)OC(CO)C(O)C1(O)O

Aglycone:
[NH2+]=C(NCCCO)NC1=C2C=CC3C(=COC(O)C3C=C3CCCCC3)C(=O)OC3CCCC3CSSCC(CO)N(C=C1C(=O)O)C2

Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 11 FractionCSP3: 0.7
AlogP: 0.16 Num_rotatable_bonds: 12
MolWt: 926.14 Num_heavy_atoms: 63
TPSA: 274.79 NumAromaticRings: 0

Unique Aglycone
AD46663
Formula: C34H49O8N4S2

Smiles:
[NH2+]=C(NCCCO)NC1=C2C=CC3C(=COC(O)C3C=C3CCCCC3)C(=O)OC3CCCC3CSSCC(CO)N(C=C1C(=O)O)C2
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.62
AlogP: 1.58 Num_rotatable_bonds: 7
MolWt: 705.92 Num_heavy_atoms: 48
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04585

CC(C)OC1C(O)OC(CO)C(O)C1(O)O