Glycoside
...
GD142737

Name:
5-{7-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2,3a-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2H-pyran-2-one

Formula:
C42H62O19

Smiles:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C=C5CCC6C(CCC7(C)C(c8ccc(=O)oc8)C(O)CC67O)C5(C)CC4)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12O

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.83
AlogP: -2.37 Num_rotatable_bonds: 9
MolWt: 870.94 Num_heavy_atoms: 61
TPSA: 308.12 NumAromaticRings: 1

Unique Aglycone
AD49103
Formula: C24H32O5

Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.71
AlogP: 3.13 Num_rotatable_bonds: 1
MolWt: 400.52 Num_heavy_atoms: 29
TPSA: 90.9 NumAromaticRings: 1

Sugarmoiety
SD00539

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