Glycoside
...
GD147972

Name:
4-(3-{3-[(4-ethyl-1H-imidazol-5-yl)methyl]-4-hydroxyphenyl}prop-2-enoyl)-7-hydroxy-1-[5-hydroxy-4-(hydroxymethyl)-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:
C51H59O15N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(CCCO)=CC32C(=O)O)ccc1O

Aglycone:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(CCCO)=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 12 FractionCSP3: 0.47
AlogP: 2.77 Num_rotatable_bonds: 14
MolWt: 954.04 Num_heavy_atoms: 69
TPSA: 307.05 NumAromaticRings: 4

Unique Aglycone
AD59232
Formula: C45H49O9N3

Smiles:
CCc1nc[nH]c1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C45c6c(O)cccc6CCC4CCCC5CO)C(CCCO)=CC32C(=O)O)ccc1O
HBA: 12 RingCount: 8
HBD: 8 FractionCSP3: 0.4
AlogP: 5.97 Num_rotatable_bonds: 11
MolWt: 775.9 Num_heavy_atoms: 57
TPSA: 207.67 NumAromaticRings: 4

Sugarmoiety
SD00999

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