Glycoside
...
GD144101

Name:
methyl 9-formyl-5-hydroxy-10-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C48H76O19

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2O

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2O

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.92
AlogP: -0.42 Num_rotatable_bonds: 10
MolWt: 957.12 Num_heavy_atoms: 67
TPSA: 301.05 NumAromaticRings: 0

Unique Aglycone
AD47740
Formula: C31H48O5

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2O
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 5.47 Num_rotatable_bonds: 2
MolWt: 500.72 Num_heavy_atoms: 36
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD01588

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O