Glycoside
...
GD139171

Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-{3-[4-hydroxy-3-(4-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-7-yl)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:
C44H50O12N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)c2[nH]cnc21

Aglycone:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)c2[nH]cnc21

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 11 FractionCSP3: 0.43
AlogP: 2.78 Num_rotatable_bonds: 10
MolWt: 826.9 Num_heavy_atoms: 60
TPSA: 272.38 NumAromaticRings: 4

Unique Aglycone
AD56114
Formula: C38H40O6N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)c2[nH]cnc21
HBA: 10 RingCount: 7
HBD: 7 FractionCSP3: 0.34
AlogP: 5.99 Num_rotatable_bonds: 7
MolWt: 648.76 Num_heavy_atoms: 48
TPSA: 173.0 NumAromaticRings: 4

Sugarmoiety
SD00999

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