Glycoside
...
GD025105

Name:
None

Formula:
C52H84O18N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NNC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@@H]2OC(=O)O[C@@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C.COc1cc(C=CC(=O)NNC(=O)O)cc(OC)c1OC

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 4 FractionCSP3: 0.77
AlogP: 4.59 Num_rotatable_bonds: 13
MolWt: 1053.25 Num_heavy_atoms: 74
TPSA: 250.04 NumAromaticRings: 1

Unique Aglycone
AD00823
Formula: C31H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.94
AlogP: 2.16 Num_rotatable_bonds: 4
MolWt: 616.79 Num_heavy_atoms: 43
TPSA: 147.46 NumAromaticRings: 0
AD16685
Formula: C13H16O6N2

Smiles:
COc1cc(C=CC(=O)NNC(=O)O)cc(OC)c1OC
HBA: 8 RingCount: 1
HBD: 3 FractionCSP3: 0.23
AlogP: 1.02 Num_rotatable_bonds: 5
MolWt: 296.28 Num_heavy_atoms: 21
TPSA: 106.12 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O