Glycoside
...
GD134557

Name:
1-(2-amino-1-phenylcyclopentyl)-4-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-7-hydroxy-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C44H48O12N4

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C4(c5ccccc5)CCCC4N)C=CC32C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCC4N)C=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 11 FractionCSP3: 0.39
AlogP: 2.07 Num_rotatable_bonds: 11
MolWt: 824.88 Num_heavy_atoms: 60
TPSA: 272.38 NumAromaticRings: 4

Unique Aglycone
AD54435
Formula: C38H38O6N4

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5)CCCC4N)C=CC32C(=O)O)ccc1O
HBA: 10 RingCount: 7
HBD: 7 FractionCSP3: 0.29
AlogP: 5.28 Num_rotatable_bonds: 8
MolWt: 646.74 Num_heavy_atoms: 48
TPSA: 173.0 NumAromaticRings: 4

Sugarmoiety
SD00999

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