Glycoside
...
GD020785

Name:
None

Formula:
C43H74O14N4

Smiles:
CCCCCNC(=O)ON=C1[C@H](C)[C@@H]2OC(=O)O[C@@]2(C)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)NCCCCC)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H]1C

Aglycone:
CCCCCNC(=O)O.CCCCCNC(=O)ON=C1C(C)CC(C)(OC)C(O)C(C)C(=O)C(C)C(=O)OC(CC)C2(C)OC(=O)OC2C1C

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 3 FractionCSP3: 0.86
AlogP: 5.5 Num_rotatable_bonds: 15
MolWt: 871.08 Num_heavy_atoms: 61
TPSA: 219.08 NumAromaticRings: 0

Unique Aglycone
AD14295
Formula: C6H13O2N

Smiles:
CCCCCNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 1.44 Num_rotatable_bonds: 4
MolWt: 131.18 Num_heavy_atoms: 9
TPSA: 49.33 NumAromaticRings: 0
AD14296
Formula: C29H48O10N2

Smiles:
CCCCCNC(=O)ON=C1C(C)CC(C)(OC)C(O)C(C)C(=O)C(C)C(=O)OC(CC)C2(C)OC(=O)OC2C1C
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.83
AlogP: 4.16 Num_rotatable_bonds: 7
MolWt: 584.71 Num_heavy_atoms: 41
TPSA: 159.05 NumAromaticRings: 0

Sugarmoiety
SD00048

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