Glycoside
...
GD130923

Name:
6-[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-{[5-formyl-4-methyl-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1H-pyrrol-2-yl]methyl}-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-5-carboxylic acid

Formula:
C40H48O13N4

Smiles:
C=CC1=C(C)C(Cc2[nH]c(C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCOC5OC(CO)C(O)C(O)C5O)c(C)c4C(=O)C3C(=O)O)c(CCC(=O)O)c2C)N=C1O

Aglycone:
C=CC1=C(C)C(Cc2[nH]c(C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCO)c(C)c4C(=O)C3C(=O)O)c(CCC(=O)O)c2C)N=C1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 10 FractionCSP3: 0.47
AlogP: 1.79 Num_rotatable_bonds: 16
MolWt: 792.84 Num_heavy_atoms: 57
TPSA: 288.08 NumAromaticRings: 3

Unique Aglycone
AD53059
Formula: C34H38O8N4

Smiles:
C=CC1=C(C)C(Cc2[nH]c(C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCO)c(C)c4C(=O)C3C(=O)O)c(CCC(=O)O)c2C)N=C1O
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.38
AlogP: 3.96 Num_rotatable_bonds: 13
MolWt: 630.7 Num_heavy_atoms: 46
TPSA: 208.93 NumAromaticRings: 3

Sugarmoiety
SD00003

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