Glycoside
...
GD123364

Name:
4-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-7-hydroxy-1-(5-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4a-yl)-2-(3-hydroxypropyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C50H57O14N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C45CCCCC4CCc4cccc(O)c45)C(CCCO)=CC32C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C45CCCCC4CCc4cccc(O)c45)C(CCCO)=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 11 FractionCSP3: 0.46
AlogP: 3.55 Num_rotatable_bonds: 13
MolWt: 924.01 Num_heavy_atoms: 67
TPSA: 286.82 NumAromaticRings: 4

Unique Aglycone
AD49777
Formula: C44H47O8N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C45CCCCC4CCc4cccc(O)c45)C(CCCO)=CC32C(=O)O)ccc1O
HBA: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.39
AlogP: 6.76 Num_rotatable_bonds: 10
MolWt: 745.87 Num_heavy_atoms: 55
TPSA: 187.44 NumAromaticRings: 4

Sugarmoiety
SD00999

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