Glycoside
...
GD127411

Name:
2-({4-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-{[8-hydroxy-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-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}-6-methyloxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C54H90O23

Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C6O)C(O)C5O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12

Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C3O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 14 FractionCSP3: 0.96
AlogP: -2.33 Num_rotatable_bonds: 14
MolWt: 1107.29 Num_heavy_atoms: 77
TPSA: 366.29 NumAromaticRings: 0

Unique Aglycone
AD01512
Formula: C31H52O5

Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.94
AlogP: 4.71 Num_rotatable_bonds: 3
MolWt: 504.75 Num_heavy_atoms: 36
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD05333

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C3O)C(O)C2O)C1O