Glycoside
...
GD131599

Name:
None

Formula:
C34H35O12N3

Smiles:
COc1cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 8 FractionCSP3: 0.35
AlogP: -0.71 Num_rotatable_bonds: 9
MolWt: 677.66 Num_heavy_atoms: 49
TPSA: 238.41 NumAromaticRings: 2

Unique Aglycone
AD07716
Formula: C16H12O5

Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.19 Num_rotatable_bonds: 1
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 83.83 NumAromaticRings: 2
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

Sugarmoiety
SD04299

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