Glycoside
...
GD023087

Name:
None

Formula:
C30H34O14N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](ON=C2[C@@H]3CCn4c(=O)n(-c5ccccc5)c(=O)n4C3[C@H](O)[C@@H]3O[C@H]23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1n(-c2ccccc2)c(=O)n2n1CCC1C(=NO)C3OC3C(O)C12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 1 FractionCSP3: 0.57
AlogP: -1.04 Num_rotatable_bonds: 8
MolWt: 674.62 Num_heavy_atoms: 48
TPSA: 217.71 NumAromaticRings: 2

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
AD02874
Formula: C16H16O5N4

Smiles:
O=c1n(-c2ccccc2)c(=O)n2n1CCC1C(=NO)C3OC3C(O)C12
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.44
AlogP: -0.67 Num_rotatable_bonds: 1
MolWt: 344.33 Num_heavy_atoms: 25
TPSA: 114.28 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O