Glycoside
...
GD007426

Name:
None

Formula:
C55H84O16N4

Smiles:
CCNC(=O)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(C)CCC[C@@H](CC=Cc4cncc5ccccc45)OC(=O)C[C@@H](OC(=O)CC)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)OC(=O)CC

Aglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(CC=Cc2cncc3ccccc23)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC.CCNC(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 5.36 Num_rotatable_bonds: 17
MolWt: 1057.29 Num_heavy_atoms: 75
TPSA: 240.28 NumAromaticRings: 2

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD03140
Formula: C3H7O2N

Smiles:
CCNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: 0.27 Num_rotatable_bonds: 1
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 49.33 NumAromaticRings: 0
AD06051
Formula: C34H48O8N2

Smiles:
CCC(=O)OC1CC(=O)OC(CC=Cc2cncc3ccccc23)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.59
AlogP: 3.96 Num_rotatable_bonds: 8
MolWt: 612.76 Num_heavy_atoms: 44
TPSA: 135.49 NumAromaticRings: 2

Sugarmoiety
SD00067

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1