Glycoside
...
GD115380

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-{[(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}-2,3-dihydro-1H-indole-2-carboxylic acid

Formula:
C50H56O12N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(C3CCC(CNc4ccc[nH]4)c4nc[nH]c43)c2)C1C(=O)O

Aglycone:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CCC(CNc4ccc[nH]4)c4nc[nH]c43)c2)C1C(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 13 FractionCSP3: 0.42
AlogP: 3.38 Num_rotatable_bonds: 12
MolWt: 933.03 Num_heavy_atoms: 68
TPSA: 300.2 NumAromaticRings: 5

Unique Aglycone
AD45633
Formula: C44H46O6N6

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(C3CCC(CNc4ccc[nH]4)c4nc[nH]c43)c2)C1C(=O)O
HBA: 12 RingCount: 9
HBD: 9 FractionCSP3: 0.34
AlogP: 6.58 Num_rotatable_bonds: 9
MolWt: 754.89 Num_heavy_atoms: 56
TPSA: 200.82 NumAromaticRings: 5

Sugarmoiety
SD00999

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