Glycoside
...
GD136827

Name:
None

Formula:
C41H46O10N2

Smiles:
NC1=CC2=C(CCC3CCCC23CC2(O)C(O)C(CO)OC(Oc3cccc4c3C(=O)C3C(O)=CC(Cc5cccc(CO)c5)=CC3C4=O)C2O)CN1

Aglycone:
CC12CCCC1CCC1=C2C=C(N)NC1.O=C1c2cccc(O)c2C(=O)C2C(O)=CC(Cc3cccc(CO)c3)=CC12

Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 8
HBD: 9 FractionCSP3: 0.46
AlogP: 2.63 Num_rotatable_bonds: 8
MolWt: 726.82 Num_heavy_atoms: 53
TPSA: 212.03 NumAromaticRings: 2

Unique Aglycone
AD46377
Formula: C22H18O5

Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(Cc3cccc(CO)c3)=CC12
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.18
AlogP: 3.12 Num_rotatable_bonds: 3
MolWt: 362.38 Num_heavy_atoms: 27
TPSA: 94.83 NumAromaticRings: 2
AD55307
Formula: C13H20N2

Smiles:
CC12CCCC1CCC1=C2C=C(N)NC1
HBA: 2 RingCount: 3
HBD: 3 FractionCSP3: 0.69
AlogP: 2.29 Num_rotatable_bonds: 0
MolWt: 204.32 Num_heavy_atoms: 15
TPSA: 38.05 NumAromaticRings: 0

Sugarmoiety
SD04501

OCC1OC(O)C(O)C(O)(O)C1O