Glycoside
...
GD132909

Name:
1-{1-amino-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-9b-yl}-7-hydroxy-4-(3-{4-hydroxy-3-[5-(hydroxymethyl)-4-{[(1H-pyrrol-2-yl)amino]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:
C53H58O13N6

Smiles:
NC1CCC2CCc3ccccc3C12C1C=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1

Aglycone:
NC1CCC2CCc3ccccc3C12C1C=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1

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

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 14 FractionCSP3: 0.42
AlogP: 2.76 Num_rotatable_bonds: 12
MolWt: 987.08 Num_heavy_atoms: 72
TPSA: 320.43 NumAromaticRings: 5

Unique Aglycone
AD53809
Formula: C47H48O7N6

Smiles:
NC1CCC2CCc3ccccc3C12C1C=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(C2CC(CO)C(CNc3ccc[nH]3)c3[nH]cnc32)c1
HBA: 13 RingCount: 10
HBD: 10 FractionCSP3: 0.34
AlogP: 5.97 Num_rotatable_bonds: 9
MolWt: 808.94 Num_heavy_atoms: 60
TPSA: 221.05 NumAromaticRings: 5

Sugarmoiety
SD00999

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