Glycoside
...
GD140722

Name:
None

Formula:
C47H58O13N8

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(C(CCO)NC(=N)NC)c(O)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(C(CCO)NC(=N)NC)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 15 FractionCSP3: 0.43
AlogP: -1.02 Num_rotatable_bonds: 17
MolWt: 943.02 Num_heavy_atoms: 68
TPSA: 344.6 NumAromaticRings: 2

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
AD56737
Formula: C29H35O6N5

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(C(CCO)NC(=N)NC)c(O)c1C2=O
HBA: 11 RingCount: 4
HBD: 9 FractionCSP3: 0.34
AlogP: 1.87 Num_rotatable_bonds: 9
MolWt: 549.63 Num_heavy_atoms: 40
TPSA: 190.02 NumAromaticRings: 2

Sugarmoiety
SD04299

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