Glycoside
...
GD137426

Name:
None

Formula:
C45H69O14N4

Smiles:
CC(C)OC1C(OC2OC=C(C(=O)OC3CCC4(CCCC4)C3)C(C=CC3=CN(CCO)CC(C(=O)O)=C3NC(=[NH2+])NCCCO)C2C=C2CCCCC2)OC(CO)C(O)C1(O)O

Aglycone:
[NH2+]=C(NCCCO)NC1=C(C(=O)O)CN(CCO)C=C1C=CC1C(C(=O)OC2CCC3(CCCC3)C2)=COC(O)C1C=C1CCCCC1

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 11 FractionCSP3: 0.71
AlogP: 0.34 Num_rotatable_bonds: 17
MolWt: 890.06 Num_heavy_atoms: 63
TPSA: 274.79 NumAromaticRings: 0

Unique Aglycone
AD55522
Formula: C36H53O8N4

Smiles:
[NH2+]=C(NCCCO)NC1=C(C(=O)O)CN(CCO)C=C1C=CC1C(C(=O)OC2CCC3(CCCC3)C2)=COC(O)C1C=C1CCCCC1
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.64
AlogP: 1.76 Num_rotatable_bonds: 12
MolWt: 669.84 Num_heavy_atoms: 48
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04585

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