Glycoside
...
GD146672

Name:
3-[(3-{5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-(2-{[5-formyl-4-methyl-3-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1H-pyrrol-2-yl]methyl}-5-(methoxycarbonyl)-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrol-6-ylidene)-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoyl)oxy]-4-hydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

Formula:
C48H56O19N4

Smiles:
C=CC1=C(C)C(CC2=NC(=C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCOC5OC(CO)C(O)C(O)C5O)c(C)c4C(=O)C3C(=O)OC)C(CCC(=O)OC3C(O)C=C(C(=O)O)OC3C(=O)O)C2C)N=C1O

Aglycone:
C=CC1=C(C)C(CC2=NC(=C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCO)c(C)c4C(=O)C3C(=O)OC)C(CCC(=O)OC3C(O)C=C(C(=O)O)OC3C(=O)O)C2C)N=C1O

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

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 10 FractionCSP3: 0.5
AlogP: 0.86 Num_rotatable_bonds: 18
MolWt: 992.99 Num_heavy_atoms: 71
TPSA: 366.71 NumAromaticRings: 2

Unique Aglycone
AD58788
Formula: C42H46O14N4

Smiles:
C=CC1=C(C)C(CC2=NC(=C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCO)c(C)c4C(=O)C3C(=O)OC)C(CCC(=O)OC3C(O)C=C(C(=O)O)OC3C(=O)O)C2C)N=C1O
HBA: 18 RingCount: 6
HBD: 7 FractionCSP3: 0.43
AlogP: 3.04 Num_rotatable_bonds: 15
MolWt: 830.84 Num_heavy_atoms: 60
TPSA: 287.56 NumAromaticRings: 2

Sugarmoiety
SD00003

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