Glycoside
...
GD135269

Name:
8a-[({4-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxyoxan-2-yl}oxy)carbonyl]-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[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,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:
C63H100O32

Smiles:
CC1OC(OC2C(C)OC(OC3COC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C(C)(C(=O)O)C7CCC6(C)C4(C)CC5O)C(O)C3OC3OCC(O)C(O)C3OC3OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3COC(O)C(O)C3OC3OCC(O)C(O)C3OC3OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 18 FractionCSP3: 0.94
AlogP: -5.41 Num_rotatable_bonds: 15
MolWt: 1369.46 Num_heavy_atoms: 95
TPSA: 509.04 NumAromaticRings: 0

Unique Aglycone
AD06481
Formula: C30H46O7

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 4.24 Num_rotatable_bonds: 2
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD07916

CC1OC(OC2C(C)OC(OC3COC(O)C(O)C3OC3OCC(O)C(O)C3OC3OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O