Glycoside
...
GD158056

Name:
None

Formula:
C50H62O13N8

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1c3c(c(CNC(=N)NC)c(O)c1C2=O)CC(C1=CNC(N)C=C1)C(CCO)CC3

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1c3c(c(CNC(=N)NC)c(O)c1C2=O)CC(C1=CNC(N)C=C1)C(CCO)CC3

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 15 FractionCSP3: 0.46
AlogP: -0.78 Num_rotatable_bonds: 15
MolWt: 983.09 Num_heavy_atoms: 71
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
AD50802
Formula: C32H39O6N5

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1c3c(c(CNC(=N)NC)c(O)c1C2=O)CC(C1=CNC(N)C=C1)C(CCO)CC3
HBA: 11 RingCount: 5
HBD: 9 FractionCSP3: 0.41
AlogP: 2.12 Num_rotatable_bonds: 7
MolWt: 589.69 Num_heavy_atoms: 43
TPSA: 190.02 NumAromaticRings: 2

Sugarmoiety
SD04299

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