Glycoside
...
GD031486

Name:
None

Formula:
C44H70O18N2

Smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C[C@@H]2OC(=O)N[C@H]2C=C[C@H](OC(C)=O)[C@H](C)C[C@@H](CC=O)[C@H](O[C@H]2O[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H]1OC

Aglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC2OC(=O)NC2C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 3 FractionCSP3: 0.82
AlogP: 2.26 Num_rotatable_bonds: 13
MolWt: 915.04 Num_heavy_atoms: 64
TPSA: 250.45 NumAromaticRings: 0

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
AD20280
Formula: C26H39O11N

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC(=O)NC2C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.73
AlogP: 1.61 Num_rotatable_bonds: 6
MolWt: 541.59 Num_heavy_atoms: 38
TPSA: 163.76 NumAromaticRings: 0

Sugarmoiety
SD00067

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