Glycoside
...
GD156882

Name:
3-({1-amino-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-9b-yl}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:
C46H52O12N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(OC5(O)OC(CO)C(O)C(O)C5O)c(O)cc4C(CC45c6ccccc6CCC4CCC5N)C3C(=O)O)ccc2O)c2[nH]cnc21

Aglycone:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC45c6ccccc6CCC4CCC5N)C3C(=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: 0.46
AlogP: 2.96 Num_rotatable_bonds: 9
MolWt: 852.94 Num_heavy_atoms: 62
TPSA: 272.38 NumAromaticRings: 4

Unique Aglycone
AD62076
Formula: C40H42O6N4

Smiles:
CC1CCC(c2cc(C=CC(=O)N3c4cc(O)c(O)cc4C(CC45c6ccccc6CCC4CCC5N)C3C(=O)O)ccc2O)c2[nH]cnc21
HBA: 10 RingCount: 8
HBD: 7 FractionCSP3: 0.38
AlogP: 6.16 Num_rotatable_bonds: 6
MolWt: 674.8 Num_heavy_atoms: 50
TPSA: 173.0 NumAromaticRings: 4

Sugarmoiety
SD00999

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