Glycoside
...
GD147200

Name:
6-{[9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6b-hydroxy-4-(hydroxymethyl)-4,6a,8a,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}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C58H94O27

Smiles:
CC1OC(OC2C(OC3CC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C5(O)CCC34C)OCC(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(O)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 16 FractionCSP3: 0.95
AlogP: -3.26 Num_rotatable_bonds: 13
MolWt: 1223.36 Num_heavy_atoms: 85
TPSA: 433.05 NumAromaticRings: 0

Unique Aglycone
AD58962
Formula: C29H48O4

Smiles:
CC1(C)CC(O)C2(C)CCC3(O)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 4.84 Num_rotatable_bonds: 1
MolWt: 460.7 Num_heavy_atoms: 33
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00409

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O