Glycoside
...
GD016626

Name:
None

Formula:
C52H83O16N3

Smiles:
CCOC(=O)[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)CN(CCCCc4ccccc4)CCCNC(=O)C[C@@H](OC(=O)CC)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)OC(C)=O

Aglycone:
CCC(=O)OC1CC(=O)NCCCN(CCCCc2ccccc2)CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC.CCOC(=O)C1C(C)OC(O)CC1(C)OC(C)=O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 2 FractionCSP3: 0.77
AlogP: 4.16 Num_rotatable_bonds: 19
MolWt: 1006.24 Num_heavy_atoms: 71
TPSA: 224.23 NumAromaticRings: 1

Unique Aglycone
AD00801
Formula: C12H20O6

Smiles:
CCOC(=O)C1C(C)OC(O)CC1(C)OC(C)=O
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.83
AlogP: 0.61 Num_rotatable_bonds: 3
MolWt: 260.29 Num_heavy_atoms: 18
TPSA: 82.06 NumAromaticRings: 0
AD11948
Formula: C32H50O8N2

Smiles:
CCC(=O)OC1CC(=O)NCCCN(CCCCc2ccccc2)CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC
HBA: 10 RingCount: 2
HBD: 2 FractionCSP3: 0.69
AlogP: 3.08 Num_rotatable_bonds: 11
MolWt: 590.76 Num_heavy_atoms: 42
TPSA: 131.47 NumAromaticRings: 1

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O