Glycoside
...
GD127051

Name:
3-[(2-amino-1-phenylcyclopentyl)methyl]-5-hydroxy-1-(3-{4-hydroxy-3-[5-(hydroxymethyl)-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:
C45H52O13N4

Smiles:
CC1c2nc[nH]c2C(c2cc(C=CC(=O)N3c4cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)CC1CO

Aglycone:
CC1c2nc[nH]c2C(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)CC1CO

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 12 FractionCSP3: 0.44
AlogP: 2.0 Num_rotatable_bonds: 11
MolWt: 856.93 Num_heavy_atoms: 62
TPSA: 292.61 NumAromaticRings: 4

Unique Aglycone
AD51431
Formula: C39H42O7N4

Smiles:
CC1c2nc[nH]c2C(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC4(c5ccccc5)CCCC4N)C3C(=O)O)ccc2O)CC1CO
HBA: 11 RingCount: 7
HBD: 8 FractionCSP3: 0.36
AlogP: 5.21 Num_rotatable_bonds: 8
MolWt: 678.79 Num_heavy_atoms: 50
TPSA: 193.23 NumAromaticRings: 4

Sugarmoiety
SD00999

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