Glycoside
...
GD144857

Name:
3-[(3,4-dihydroxy-5-{[3-hydroxy-5-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxolan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl 5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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-4a-carboxylate

Formula:
C59H96O27

Smiles:
CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6O)OC(C)C(O)C4O)C(O)C3O)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)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4C(O)OC(C)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 16 FractionCSP3: 0.95
AlogP: -3.58 Num_rotatable_bonds: 13
MolWt: 1237.39 Num_heavy_atoms: 86
TPSA: 433.05 NumAromaticRings: 0

Unique Aglycone
AD10010
Formula: C30H48O6

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD04997

CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4C(O)OC(C)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O