Glycoside
...
GD118777

Name:
None

Formula:
C42H64O14N5S2

Smiles:
CNCOC1C(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:
CNCOC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 12 FractionCSP3: 0.69
AlogP: -1.07 Num_rotatable_bonds: 13
MolWt: 927.13 Num_heavy_atoms: 63
TPSA: 286.82 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
SD04325

CNCOC1C(O)OC(CO)C(O)C1(O)O