Glycoside
...
GD126507

Name:
None

Formula:
C46H52O12N6

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1cc(CCc3ccccc3)c(CNC(=N)NC)c(O)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccccc3)c(CNC(=N)NC)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 11 FractionCSP3: 0.37
AlogP: 0.58 Num_rotatable_bonds: 15
MolWt: 880.95 Num_heavy_atoms: 64
TPSA: 286.32 NumAromaticRings: 3

Unique Aglycone
AD45449
Formula: C12H15O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.12 Num_rotatable_bonds: 3
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 75.43 NumAromaticRings: 0
AD51194
Formula: C28H29O5N3

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccccc3)c(CNC(=N)NC)c(O)c1C2=O
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.25
AlogP: 3.47 Num_rotatable_bonds: 7
MolWt: 487.56 Num_heavy_atoms: 36
TPSA: 131.74 NumAromaticRings: 3

Sugarmoiety
SD04299

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