Glycoside
...
GD114789

Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-(3-{4-hydroxy-3-[4-(hydroxymethyl)-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:
C44H50O13N4

Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(C3CCC(CO)c4nc[nH]c43)c2)C1C(=O)O)c1ccccc1

Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CCC(CO)c4nc[nH]c43)c2)C1C(=O)O)c1ccccc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 12 FractionCSP3: 0.43
AlogP: 1.76 Num_rotatable_bonds: 11
MolWt: 842.9 Num_heavy_atoms: 61
TPSA: 292.61 NumAromaticRings: 4

Unique Aglycone
AD45283
Formula: C38H40O7N4

Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CCC(CO)c4nc[nH]c43)c2)C1C(=O)O)c1ccccc1
HBA: 11 RingCount: 7
HBD: 8 FractionCSP3: 0.34
AlogP: 4.96 Num_rotatable_bonds: 8
MolWt: 664.76 Num_heavy_atoms: 49
TPSA: 193.23 NumAromaticRings: 4

Sugarmoiety
SD00999

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