Glycoside
...
GD153907

Name:
6-({8a-carboxy-14b-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-9-(methoxymethyl)-4,4,6a,6b,11,11-hexamethyl-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:
C45H69O10N

Smiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CC(COC)C3(C(=O)O)CCC21C

Aglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CC(COC)C3(C(=O)O)CCC21C

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 6 FractionCSP3: 0.82
AlogP: 6.53 Num_rotatable_bonds: 10
MolWt: 784.04 Num_heavy_atoms: 56
TPSA: 178.77 NumAromaticRings: 1

Unique Aglycone
AD61172
Formula: C39H61O4N

Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CC(COC)C3(C(=O)O)CCC21C
HBA: 5 RingCount: 6
HBD: 3 FractionCSP3: 0.82
AlogP: 8.61 Num_rotatable_bonds: 7
MolWt: 607.92 Num_heavy_atoms: 44
TPSA: 82.55 NumAromaticRings: 1

Sugarmoiety
SD00030

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