Glycoside
...
GD134142

Name:
None

Formula:
C40H62O14N5

Smiles:
CNCOC1C(OC2OC=C(C(=O)OC3CCCC3)C(C=CC3=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C3)C2C=C2CCCCC2)OC(CO)C(O)C1(O)O

Aglycone:
[NH2+]=C(NCCCO)NC1=C(C=CC2C(C(=O)OC3CCCC3)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 12 FractionCSP3: 0.68
AlogP: -2.06 Num_rotatable_bonds: 18
MolWt: 836.96 Num_heavy_atoms: 59
TPSA: 286.82 NumAromaticRings: 0

Unique Aglycone
AD46409
Formula: C32H47O8N4

Smiles:
[NH2+]=C(NCCCO)NC1=C(C=CC2C(C(=O)OC3CCCC3)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)O
HBA: 12 RingCount: 4
HBD: 8 FractionCSP3: 0.59
AlogP: 0.59 Num_rotatable_bonds: 12
MolWt: 615.75 Num_heavy_atoms: 44
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04325

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