Glycoside
...
GD128153

Name:
20-hydroxy-7,18-bis(hydroxymethyl)-21-({2-[(1H-imidazol-4-yl)methyl]-5-oxopyrrolidin-3-yl}methyl)-7,14,18,22-tetramethyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]pentacos-3-ene-10-carboxylic acid

Formula:
C46H69O11N3

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2CC(O)=NC2Cc2cnc[nH]2)C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45C

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2CC(O)=NC2Cc2cnc[nH]2)C(O)C(O)C(C)(CO)C1CCC45C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 9
HBD: 9 FractionCSP3: 0.85
AlogP: 4.07 Num_rotatable_bonds: 9
MolWt: 840.07 Num_heavy_atoms: 60
TPSA: 238.41 NumAromaticRings: 1

Unique Aglycone
AD51913
Formula: C41H61O7N3

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2CC(O)=NC2Cc2cnc[nH]2)C(O)C(O)C(C)(CO)C1CCC45C
HBA: 10 RingCount: 8
HBD: 7 FractionCSP3: 0.83
AlogP: 5.61 Num_rotatable_bonds: 7
MolWt: 707.95 Num_heavy_atoms: 51
TPSA: 179.49 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O