Glycoside
...
GD150435

Name:
10-{[5-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-(hydroxymethyl)-13-methoxy-2,2,5,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl acetate

Formula:
C50H82O18

Smiles:
COC1C=C2C3CC(C)(C)CCC3(OC(C)=O)C(C)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(CO)C(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)CCC3(C)C12

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

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.94
AlogP: 1.45 Num_rotatable_bonds: 10
MolWt: 971.19 Num_heavy_atoms: 68
TPSA: 272.98 NumAromaticRings: 0

Unique Aglycone
AD60094
Formula: C33H54O5

Smiles:
COC1C=C2C3CC(C)(C)CCC3(OC(C)=O)C(C)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.91
AlogP: 6.31 Num_rotatable_bonds: 3
MolWt: 530.79 Num_heavy_atoms: 38
TPSA: 75.99 NumAromaticRings: 0

Sugarmoiety
SD09783

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O