Glycoside
...
GD006649

Name:
None

Formula:
C58H76O28N4S

Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1OCCCCCCN=C(S)N=C1C=CC(=C2c3ccc(O)cc3Oc3cc(O)ccc32)C(C(=O)O)=C1

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.O=C(O)C1=CC(=NC(S)=NCCCCCCO)C=CC1=C1c2ccc(O)cc2Oc2cc(O)ccc21

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 8
HBD: 17 FractionCSP3: 0.59
AlogP: -3.32 Num_rotatable_bonds: 23
MolWt: 1309.31 Num_heavy_atoms: 91
TPSA: 503.58 NumAromaticRings: 2

Unique Aglycone
AD00077
Formula: C11H19O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: -3.87 Num_rotatable_bonds: 5
MolWt: 309.27 Num_heavy_atoms: 21
TPSA: 176.78 NumAromaticRings: 0
AD05481
Formula: C27H26O6N2S

Smiles:
O=C(O)C1=CC(=NC(S)=NCCCCCCO)C=CC1=C1c2ccc(O)cc2Oc2cc(O)ccc21
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.22
AlogP: 4.87 Num_rotatable_bonds: 7
MolWt: 506.58 Num_heavy_atoms: 36
TPSA: 131.94 NumAromaticRings: 2

Sugarmoiety
SD00319

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O