Glycoside
...
GD156842

Name:
6-({8a-carboxy-14b-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-4,4,6a,11,11-pentamethyl-6b-(3-oxopropyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C45H67O10N

Smiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21CCC=O

Aglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21CCC=O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 6 FractionCSP3: 0.8
AlogP: 6.61 Num_rotatable_bonds: 11
MolWt: 782.03 Num_heavy_atoms: 56
TPSA: 186.61 NumAromaticRings: 1

Unique Aglycone
AD62063
Formula: C39H59O4N

Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21CCC=O
HBA: 5 RingCount: 6
HBD: 3 FractionCSP3: 0.79
AlogP: 8.7 Num_rotatable_bonds: 8
MolWt: 605.9 Num_heavy_atoms: 44
TPSA: 90.39 NumAromaticRings: 1

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O