Glycoside
...
GD140691

Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-[3-(4-hydroxy-3-{[4-(3-hydroxypropyl)-1H-imidazol-5-yl]methyl}phenyl)prop-2-enoyl]-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C43H50O13N4

Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCCO)c2)C1C(=O)O)c1ccccc1

Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCCO)c2)C1C(=O)O)c1ccccc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 12 FractionCSP3: 0.42
AlogP: 1.27 Num_rotatable_bonds: 14
MolWt: 830.89 Num_heavy_atoms: 60
TPSA: 292.61 NumAromaticRings: 4

Unique Aglycone
AD56721
Formula: C37H40O7N4

Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(Cc3[nH]cnc3CCCO)c2)C1C(=O)O)c1ccccc1
HBA: 11 RingCount: 6
HBD: 8 FractionCSP3: 0.32
AlogP: 4.48 Num_rotatable_bonds: 11
MolWt: 652.75 Num_heavy_atoms: 48
TPSA: 193.23 NumAromaticRings: 4

Sugarmoiety
SD00999

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