Glycoside
...
GD009404

Name:
COMPOUND P371 A

Formula:
C48H66O20N2

Smiles:
CO[C@@H]1C[C@H](O[C@@H]2C=C(C)C[C@]3(O)[C@H](OC(C)=O)[C@H](O)C4=C(C(=O)c5ccc([C@@H]6C[C@H](O[C@@H]7C[C@@](C)(O)[C@H](O[C@@H]8CC[C@H](NC(N)=O)[C@H](C)O8)[C@H](C)O7)[C@H](O)[C@H](C)O6)c(O)c5C4=O)[C@]23O)O[C@H](C)[C@H]1O

Aglycone:
CC(=O)OC1C(O)C2=C(C(=O)c3ccc(C4CC(O)C(O)C(C)O4)c(O)c3C2=O)C2(O)C(O)C=C(C)CC12O.CC1OC(O)CCC1NC(N)=O

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 10 FractionCSP3: 0.71
AlogP: 0.51 Num_rotatable_bonds: 10
MolWt: 991.05 Num_heavy_atoms: 70
TPSA: 331.01 NumAromaticRings: 1

Unique Aglycone
AD07374
Formula: C27H30O12

Smiles:
CC(=O)OC1C(O)C2=C(C(=O)c3ccc(C4CC(O)C(O)C(C)O4)c(O)c3C2=O)C2(O)C(O)C=C(C)CC12O
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.52
AlogP: -0.88 Num_rotatable_bonds: 2
MolWt: 546.53 Num_heavy_atoms: 39
TPSA: 211.28 NumAromaticRings: 1
AD07375
Formula: C7H14O3N2

Smiles:
CC1OC(O)CCC1NC(N)=O
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.86
AlogP: -0.46 Num_rotatable_bonds: 1
MolWt: 174.2 Num_heavy_atoms: 12
TPSA: 84.58 NumAromaticRings: 0

Sugarmoiety
SD01461

CC1OC(O)CC(C)(O)C1O.COC1CC(O)OC(C)C1O