Glycoside
...
GD032388

Name:
None

Formula:
C49H67O18N3

Smiles:
C=C1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)NNc5cccnc5)CCC[C@@]4(C)[C@H]2CC[C@@]1(O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O)C3

Aglycone:
C=C1CC23CCC4C(C)(C(=O)NNc5cccnc5)CCCC4(C)C2CCC1(O)C3.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 3 FractionCSP3: 0.71
AlogP: 3.68 Num_rotatable_bonds: 15
MolWt: 986.08 Num_heavy_atoms: 70
TPSA: 268.97 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD20776
Formula: C25H35O2N3

Smiles:
C=C1CC23CCC4C(C)(C(=O)NNc5cccnc5)CCCC4(C)C2CCC1(O)C3
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.68
AlogP: 4.61 Num_rotatable_bonds: 3
MolWt: 409.57 Num_heavy_atoms: 30
TPSA: 74.25 NumAromaticRings: 1

Sugarmoiety
SD03062

CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(O)C(OC(C)=O)C1OC(C)=O