Glycoside
...
GD154404

Name:
None

Formula:
C42H52O13N6

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

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

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 12 FractionCSP3: 0.45
AlogP: -0.89 Num_rotatable_bonds: 16
MolWt: 848.91 Num_heavy_atoms: 61
TPSA: 306.55 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
AD60826
Formula: C24H29O6N3

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCCCO)c(CNC(=N)NC)c(O)c1C2=O
HBA: 9 RingCount: 3
HBD: 6 FractionCSP3: 0.38
AlogP: 2.0 Num_rotatable_bonds: 8
MolWt: 455.51 Num_heavy_atoms: 33
TPSA: 151.97 NumAromaticRings: 2

Sugarmoiety
SD04299

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