Glycoside
...
GD132988

Name:
4-[(6-{[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyloxy](hydroxy)methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-5-{[N'-(4-hydroxybutyl)carbamimidamido]methoxy}-2-[(1-hydroxypropan-2-yl)amino]benzoic acid

Formula:
C38H50O17N4

Smiles:
COc1cc(C(=O)OC(O)C2OC(Oc3cc(NC(C)CO)c(C(=O)O)cc3OCNC(=N)NCCCCO)C(O)C(O)C2O)c(O)c(OCCc2ccccc2)c1O

Aglycone:
CC(CO)Nc1cc(O)c(OCNC(=N)NCCCCO)cc1C(=O)O.COc1cc(C(=O)OCO)c(O)c(OCCc2ccccc2)c1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 13 FractionCSP3: 0.45
AlogP: -0.2 Num_rotatable_bonds: 21
MolWt: 834.83 Num_heavy_atoms: 59
TPSA: 331.53 NumAromaticRings: 3

Unique Aglycone
AD46138
Formula: C17H18O7

Smiles:
COc1cc(C(=O)OCO)c(O)c(OCCc2ccccc2)c1O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.24
AlogP: 1.83 Num_rotatable_bonds: 7
MolWt: 334.32 Num_heavy_atoms: 24
TPSA: 105.45 NumAromaticRings: 2
AD53837
Formula: C16H26O6N4

Smiles:
CC(CO)Nc1cc(O)c(OCNC(=N)NCCCCO)cc1C(=O)O
HBA: 10 RingCount: 1
HBD: 8 FractionCSP3: 0.5
AlogP: 0.11 Num_rotatable_bonds: 11
MolWt: 370.41 Num_heavy_atoms: 26
TPSA: 167.16 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O