Glycoside
...
GD119647

Name:
1-(2-amino-1-phenylcyclopentyl)-7-hydroxy-4-{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}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C46H50O12N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)cc4C4C(C5(c6ccccc6)CCCC5N)C=CC43C(=O)O)ccc2O)c2[nH]cnc21

Aglycone:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C4C(C5(c6ccccc6)CCCC5N)C=CC43C(=O)O)ccc2O)c2[nH]cnc21

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

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 11 FractionCSP3: 0.41
AlogP: 2.95 Num_rotatable_bonds: 9
MolWt: 850.92 Num_heavy_atoms: 62
TPSA: 272.38 NumAromaticRings: 4

Unique Aglycone
AD47971
Formula: C40H40O6N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C4C(C5(c6ccccc6)CCCC5N)C=CC43C(=O)O)ccc2O)c2[nH]cnc21
HBA: 10 RingCount: 8
HBD: 7 FractionCSP3: 0.33
AlogP: 6.16 Num_rotatable_bonds: 6
MolWt: 672.78 Num_heavy_atoms: 50
TPSA: 173.0 NumAromaticRings: 4

Sugarmoiety
SD00999

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