Glycoside
...
GD125887

Name:
None

Formula:
C30H34O11N2

Smiles:
COc1cc(OC2OC(CO)C(O)(CCC3=CCNC(N)=C3)C(O)C2O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=O

Aglycone:
CCC1=CCNC(N)=C1.COc1cc(O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 9 FractionCSP3: 0.4
AlogP: -0.36 Num_rotatable_bonds: 8
MolWt: 598.61 Num_heavy_atoms: 43
TPSA: 221.26 NumAromaticRings: 2

Unique Aglycone
AD44859
Formula: C7H12N2

Smiles:
CCC1=CCNC(N)=C1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.43
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 124.19 Num_heavy_atoms: 9
TPSA: 38.05 NumAromaticRings: 0
AD50914
Formula: C17H14O6

Smiles:
COc1cc(O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.18
AlogP: 1.68 Num_rotatable_bonds: 2
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 104.06 NumAromaticRings: 2

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O