Glycoside
...
GD126283

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

Formula:
C52H84O24

Smiles:
CC1OC(OC2C(OC(=O)C3CC(C)(C)CC4C5=CCC6C7(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C(CO)(CO)C7CCC6(C)C5(C)CC(O)C34)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 15 FractionCSP3: 0.94
AlogP: -3.99 Num_rotatable_bonds: 11
MolWt: 1093.22 Num_heavy_atoms: 76
TPSA: 394.36 NumAromaticRings: 0

Unique Aglycone
AD51089
Formula: C30H48O7

Smiles:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 2.98 Num_rotatable_bonds: 3
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD00714

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O