Glycoside
...
GD121144

Name:
None

Formula:
C43H52O12N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C1(CCCC(C3CN=C(O)C3)C1)O2

Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CCCC(C3CN=C(O)C3)C1)O2.Cc1ccc(O)cc1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.51
AlogP: 1.55 Num_rotatable_bonds: 13
MolWt: 802.9 Num_heavy_atoms: 58
TPSA: 229.08 NumAromaticRings: 3

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD48733
Formula: C30H34O5N3

Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CCCC(C3CN=C(O)C3)C1)O2
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.5
AlogP: 2.84 Num_rotatable_bonds: 3
MolWt: 516.62 Num_heavy_atoms: 38
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO