Glycoside
...
GD014229

Name:
None

Formula:
C44H46O19N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(COC[C@@H]3C(=O)OC4c5cc(C)cc(O)c5C5=C(C(=O)c6c(O[C@@H]7C[C@H](O)[C@H](O)[C@H](C)O7)cccc6C5=O)N43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(O)c2c(c1)C1OC(=O)C(COCC3=C[N]N=N3)N1C1=C2C(=O)c2cccc(O)c2C1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 3 FractionCSP3: 0.48
AlogP: 1.03 Num_rotatable_bonds: 12
MolWt: 934.86 Num_heavy_atoms: 67
TPSA: 297.2 NumAromaticRings: 3

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
AD10491
Formula: C24H17O7N4

Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(COCC3=C[N]N=N3)N1C1=C2C(=O)c2cccc(O)c2C1=O
HBA: 11 RingCount: 6
HBD: 2 FractionCSP3: 0.21
AlogP: 2.28 Num_rotatable_bonds: 4
MolWt: 473.42 Num_heavy_atoms: 35
TPSA: 152.19 NumAromaticRings: 2

Sugarmoiety
SD01903

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC1OC(O)CC(O)C1O