Glycoside
...
GD013475

Name:
None

Formula:
C52H85O16N3

Smiles:
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)NCCCN(C)C)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O

Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)NCCCN(C)C

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

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 13 FractionCSP3: 0.69
AlogP: 0.7 Num_rotatable_bonds: 7
MolWt: 1008.26 Num_heavy_atoms: 71
TPSA: 314.65 NumAromaticRings: 0

Unique Aglycone
AD10049
Formula: C46H74O13N2

Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)NCCCN(C)C
HBA: 15 RingCount: 2
HBD: 10 FractionCSP3: 0.65
AlogP: 1.88 Num_rotatable_bonds: 5
MolWt: 863.1 Num_heavy_atoms: 61
TPSA: 249.94 NumAromaticRings: 0

Sugarmoiety
SD00205

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