Glycoside
...
GD014957

Name:
None

Formula:
C50H81O15N3

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](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(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: 18 RingCount: 4
HBD: 3 FractionCSP3: 0.78
AlogP: 3.59 Num_rotatable_bonds: 18
MolWt: 964.2 Num_heavy_atoms: 68
TPSA: 218.16 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
AD10945
Formula: C30H48O7N2

Smiles:
CCC(=O)OC1CC(=O)NCCCN(CCCCc2ccccc2)CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.7
AlogP: 2.51 Num_rotatable_bonds: 10
MolWt: 548.72 Num_heavy_atoms: 39
TPSA: 125.4 NumAromaticRings: 1

Sugarmoiety
SD00048

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